7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid

C17H16N2O3 — CID 22663413

IUPAC7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2nc(C(C)c3ccccc3)[nH]c12
InChIInChI=1S/C17H16N2O3/c1-10(11-6-4-3-5-7-11)16-18-14-12(17(20)21)8-9-13(22-2)15(14)19-16/h3-10H,1-2H3,(H,18,19)(H,20,21)
InChIKeyFQRVCSIJXRPEFF-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.42
Rot. Bonds4

About 7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid

7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid (PubChem CID 22663413) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid
PubChem CID22663413
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid
SMILESCOc1ccc(C(=O)O)c2nc(C(C)c3ccccc3)[nH]c12
InChIInChI=1S/C17H16N2O3/c1-10(11-6-4-3-5-7-11)16-18-14-12(17(20)21)8-9-13(22-2)15(14)19-16/h3-10H,1-2H3,(H,18,19)(H,20,21)
InChIKeyFQRVCSIJXRPEFF-UHFFFAOYSA-N
XLogP3.42
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-2-(3-methoxy-1-phenylpropyl)-1H-benzimidazole-4-carboxylic acid
CID 22663191
2-[cyclohexyl(phenyl)methyl]-7-methoxy-1H-benzimidazole-4-carboxylic acid;hydrochloride
CID 67638650
methyl 2-(1,2-diphenylethyl)-7-methoxy-1H-benzimidazole-4-carboxylate
CID 22663242
methyl 7-methoxy-2-phenyl-1H-benzimidazole-4-carboxylate
CID 22663468
2-(2H-benzotriazol-4-ylmethyl)-7-methoxy-1H-benzimidazole-4-carboxylic acid
CID 67073794
N-(3,5-dichloro-4-pyridinyl)-7-methoxy-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 22663199
methyl 7-methoxy-2-[(2-methoxyphenoxy)methyl]-1H-benzimidazole-4-carboxylate
CID 22663333
6-oxo-2-(1-phenylethyl)-1H-pyridine-3-carboxylic acid
CID 67406140
2-methoxybenzoic acid;bis(propan-2-ol)
CID 130236181
N-(3,5-dichloro-4-pyridinyl)-2-[2-[(1S)-1,2-diphenylethyl]-7-methoxy-1H-benzimidazol-4-yl]acetamide
CID 139836002
2-propan-2-yl-1H-benzimidazole-4-carboxylic acid
CID 58932987
2-amino-7-methoxy-1,3-benzothiazole-4-carboxylic acid
CID 84689044

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid?
The IUPAC name of 7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid (CID 22663413) is 7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid.
What is the SMILES notation for 7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid?
The canonical SMILES for 7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid is COc1ccc(C(=O)O)c2nc(C(C)c3ccccc3)[nH]c12.
What is the InChIKey of 7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid?
The InChIKey is FQRVCSIJXRPEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10(11-6-4-3-5-7-11)16-18-14-12(17(20)21)8-9-13(22-2)15(14)19-16/h3-10H,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid?
7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-(1-phenylethyl)-1H-benzimidazole-4-carboxylic acid is sourced from PubChem (CID 22663413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).