4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid

C16H14N2O3 — CID 100986935

IUPAC4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid
SMILESCOc1ccc2ncn(Cc3ccc(C(=O)O)cc3)c2c1
InChIInChI=1S/C16H14N2O3/c1-21-13-6-7-14-15(8-13)18(10-17-14)9-11-2-4-12(5-3-11)16(19)20/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyQDZVSVRRJKHABA-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.79
Rot. Bonds4

About 4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid

4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid (PubChem CID 100986935) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid.

Molecular Properties

Compound Name4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid
PubChem CID100986935
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid
SMILESCOc1ccc2ncn(Cc3ccc(C(=O)O)cc3)c2c1
InChIInChI=1S/C16H14N2O3/c1-21-13-6-7-14-15(8-13)18(10-17-14)9-11-2-4-12(5-3-11)16(19)20/h2-8,10H,9H2,1H3,(H,19,20)
InChIKeyQDZVSVRRJKHABA-UHFFFAOYSA-N
XLogP2.79
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5,6-dimethoxybenzimidazol-1-yl)methyl]benzoic acid
CID 94723431
3-[(4-chlorophenyl)methyl]benzimidazole-5-carboxylic acid
CID 59172196
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
4-[[6-[2-(4-methoxyphenyl)acetyl]oxy-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 11988626
4-[[6-[[2-(4-methoxyphenyl)acetyl]amino]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 10003513
1-benzyl-5-methoxybenzimidazole
CID 10900689
3-[(2-methoxyphenyl)methyl]benzimidazole-5-carboxylic acid
CID 82769947
3-[(4-boronophenyl)methyl]benzimidazole-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167613466
1-[(4-methoxyphenyl)methyl]indole-5-carboxylic acid
CID 63748947
ethane;4-[[6-[(3-methoxyphenyl)methylcarbamoyl]-4-oxoquinazolin-3-yl]methyl]benzoic acid
CID 142804202
3-[(3-fluoro-5-methoxyphenyl)methyl]-N-hydroxybenzimidazole-5-carboxamide
CID 87265978
N-hydroxy-3-[(4-methylphenyl)methyl]benzimidazole-5-carboxamide
CID 87265938

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid?
The IUPAC name of 4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid (CID 100986935) is 4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid.
What is the SMILES notation for 4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid?
The canonical SMILES for 4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid is COc1ccc2ncn(Cc3ccc(C(=O)O)cc3)c2c1.
What is the InChIKey of 4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid?
The InChIKey is QDZVSVRRJKHABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-21-13-6-7-14-15(8-13)18(10-17-14)9-11-2-4-12(5-3-11)16(19)20/h2-8,10H,9H2,1H3,(H,19,20).
What are the key properties of 4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid?
4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxybenzimidazol-1-yl)methyl]benzoic acid is sourced from PubChem (CID 100986935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).