tert-Butyl 2-(chloromethyl)benzimidazole-1-carboxylate

Details

Stereochemistry	ACHIRAL
Molecular Formula	C13H15ClN2O2
Molecular Weight	266.723
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of tert-Butyl 2-(chloromethyl)benzimidazole-1-carboxylate

Structure Search

SMILES

CC(C)(C)OC(=O)N1C(CCl)=NC2=C1C=CC=C2

InChI

InChIKey=YNZUHDHIWWRGOR-UHFFFAOYSA-N

InChI=1S/C13H15ClN2O2/c1-13(2,3)18-12(17)16-10-7-5-4-6-9(10)15-11(16)8-14/h4-7H,8H2,1-3H3

HIDE SMILES / InChI

Molecular Formula	C13H15ClN2O2
Molecular Weight	266.723
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 18:19:36 GMT 2025` Edited by `admin` on `Wed Apr 02 18:19:36 GMT 2025`
Record UNII	T7JR65BH6J
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

1,1-Dimethylethyl 2-(chloromethyl)-1H-benzimidazole-1-carboxylate

Preferred Name

English

tert-Butyl 2-(chloromethyl)benzimidazole-1-carboxylate

Systematic Name

English

1-(tert-Butoxycarbonyl)-2-(chloromethyl)benzimidazole

Systematic Name

English

1H-Benzimidazole-1-carboxylic acid, 2-(chloromethyl)-, 1,1-dimethylethyl ester

Systematic Name

English

1-tert-Butoxycarbonyl-2-chloromethyl-1H-benzimidazole

Systematic Name

English

Code System Code Type Description

PUBCHEM

15829159

Created by admin on Wed Apr 02 18:19:36 GMT 2025 , Edited by admin on Wed Apr 02 18:19:36 GMT 2025

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FDA UNII

T7JR65BH6J

Created by admin on Wed Apr 02 18:19:36 GMT 2025 , Edited by admin on Wed Apr 02 18:19:36 GMT 2025

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EPA CompTox

DTXSID60578679

Created by admin on Wed Apr 02 18:19:36 GMT 2025 , Edited by admin on Wed Apr 02 18:19:36 GMT 2025

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CAS

163798-87-6

Created by admin on Wed Apr 02 18:19:36 GMT 2025 , Edited by admin on Wed Apr 02 18:19:36 GMT 2025

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