t-butyl 4-methyl-1H-benzimidazole-1-carboxylate

HCID 15744963
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Basic information

Standard SMILES
Cc1cccc2c1ncn2C(=O)OC(C)(C)C
InChIKey
WNPRBPBRPPUZSU-UHFFFAOYSA-N
Molecular formula
C13H16N2O2
Average molar mass
232.28 g/mol

Names & identifiers

Preferred name
t-butyl 4-methyl-1H-benzimidazole-1-carboxylate
IUPAC
tert-butyl 4-methylbenzimidazole-1-carboxylate

Names & synonyms

SCHEMBL1161439SCHEMBL7350602WNPRBPBRPPUZSU-UHFFFAOYSA-Nt-butyl 4-methyl-1H-benzimidazole-1-carboxylate4-methyl-benzimidazole-1-carboxylic acid tert-butyl ester4-methylbenzimidazole-1-carboxylic acid, 1,1-dimethylethyl ester

Database identifiers

PubChem CID
15744963

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
17

Related reactions

8 records
New reaction record

Linked notes

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