2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid

C15H13N3O3 — CID 105063785

IUPAC2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCOc1cnccc1-c1nc2cc(C(=O)O)ccc2n1C
InChIInChI=1S/C15H13N3O3/c1-18-12-4-3-9(15(19)20)7-11(12)17-14(18)10-5-6-16-8-13(10)21-2/h3-8H,1-2H3,(H,19,20)
InChIKeyLRBWNPDAWPSCSB-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.34
Rot. Bonds3

About 2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid

2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid (PubChem CID 105063785) has the molecular formula C15H13N3O3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid
PubChem CID105063785
Molecular FormulaC15H13N3O3
Molecular Weight283.29 g/mol
Exact Mass283.10
IUPAC Name2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid
SMILESCOc1cnccc1-c1nc2cc(C(=O)O)ccc2n1C
InChIInChI=1S/C15H13N3O3/c1-18-12-4-3-9(15(19)20)7-11(12)17-14(18)10-5-6-16-8-13(10)21-2/h3-8H,1-2H3,(H,19,20)
InChIKeyLRBWNPDAWPSCSB-UHFFFAOYSA-N
XLogP2.34
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxythiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 81122968
2-(1,5-dimethylpyrazol-4-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 63892639
2-(5-chloro-2-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 82871862
2-(2,5-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 114373947
2-(2,4-dibromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 107939577
2-(2-bromo-3-methylphenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 107983033
2-(3-methoxy-4-pyridinyl)pyridine-4-carboxylic acid
CID 139447771
1-methyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
CID 63892433
2-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63893020
3-methoxy-5-(1-methylimidazo[4,5-c]pyridin-2-yl)benzene-1,2-diol
CID 162531082
2-(5-chlorothiophen-2-yl)-1-methylbenzimidazole-5-carboxylic acid
CID 63891341
2-methoxy-N-(1-methyl-2-pyridin-3-ylbenzimidazol-5-yl)benzamide
CID 169245109

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid?
The IUPAC name of 2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid (CID 105063785) is 2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid is COc1cnccc1-c1nc2cc(C(=O)O)ccc2n1C.
What is the InChIKey of 2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid?
The InChIKey is LRBWNPDAWPSCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3/c1-18-12-4-3-9(15(19)20)7-11(12)17-14(18)10-5-6-16-8-13(10)21-2/h3-8H,1-2H3,(H,19,20).
What are the key properties of 2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid?
2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid has a molecular weight of 283.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-pyridinyl)-1-methylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 105063785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).