1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate

C16H13N2O3- — CID 3519711

IUPAC1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate
SMILESCOc1ccc(C)cc1-n1cnc2cc(C(=O)[O-])ccc21
InChIInChI=1S/C16H14N2O3/c1-10-3-6-15(21-2)14(7-10)18-9-17-12-8-11(16(19)20)4-5-13(12)18/h3-9H,1-2H3,(H,19,20)/p-1
InChIKeyNZLLEUCCGHTQBX-UHFFFAOYSA-M
MW281.29 g/mol
LogP1.71
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate

1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate (PubChem CID 3519711) has the molecular formula C16H13N2O3- and a molecular weight of 281.29 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate
PubChem CID3519711
Molecular FormulaC16H13N2O3-
Molecular Weight281.29 g/mol
Exact Mass281.09
IUPAC Name1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate
SMILESCOc1ccc(C)cc1-n1cnc2cc(C(=O)[O-])ccc21
InChIInChI=1S/C16H14N2O3/c1-10-3-6-15(21-2)14(7-10)18-9-17-12-8-11(16(19)20)4-5-13(12)18/h3-9H,1-2H3,(H,19,20)/p-1
InChIKeyNZLLEUCCGHTQBX-UHFFFAOYSA-M
XLogP1.71
TPSA67.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethoxyethyl)-1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxamide
CID 3293921
1-(2-methoxy-5-methylphenyl)-N-(2-methylcyclohexyl)benzimidazole-5-carboxamide
CID 3293920
1-(2-bromo-4-methylphenyl)benzimidazole-5-carboxylic acid
CID 43566633
1-(5-chloro-2-methoxyphenyl)-N-(3-methoxypropyl)benzimidazole-5-carboxamide
CID 4288193
1-(4-bromophenyl)benzimidazole-5-carboxylate
CID 4525786
1-(4-propan-2-ylphenyl)benzimidazole-5-carboxylate
CID 4525946
1-(2,5-dimethoxyphenyl)-N-(2-phenylethyl)benzimidazole-5-carboxamide
CID 3594822
[1-(2,5-dimethylphenyl)benzimidazol-5-yl]-(3-oxa-6-azabicyclo[3.1.1]heptan-6-yl)methanone
CID 136548889
N-ethyl-1-(2-methoxyphenyl)-N-propylbenzimidazole-5-carboxamide
CID 156811262
1-(3,4-difluorophenyl)benzimidazole-5-carboxylate
CID 3520017
methyl 1-(2-bromophenyl)benzimidazole-5-carboxylate
CID 67372009
N-[2-(4-chlorophenyl)ethyl]-1-(2,5-dimethoxyphenyl)benzimidazole-5-carboxamide
CID 5012814

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate (CID 3519711) is 1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate is COc1ccc(C)cc1-n1cnc2cc(C(=O)[O-])ccc21.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate?
The InChIKey is NZLLEUCCGHTQBX-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14N2O3/c1-10-3-6-15(21-2)14(7-10)18-9-17-12-8-11(16(19)20)4-5-13(12)18/h3-9H,1-2H3,(H,19,20)/p-1.
What are the key properties of 1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate?
1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate has a molecular weight of 281.29 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)benzimidazole-5-carboxylate is sourced from PubChem (CID 3519711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).