2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid

C16H14N2O4 — CID 26370419

IUPAC2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
SMILESCOc1cccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1OC
InChIInChI=1S/C16H14N2O4/c1-21-13-5-3-4-10(14(13)22-2)15-17-11-7-6-9(16(19)20)8-12(11)18-15/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeySYYIKFBZWDDZMX-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.95
Rot. Bonds4

About 2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid

2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 26370419) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID26370419
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
SMILESCOc1cccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1OC
InChIInChI=1S/C16H14N2O4/c1-21-13-5-3-4-10(14(13)22-2)15-17-11-7-6-9(16(19)20)8-12(11)18-15/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeySYYIKFBZWDDZMX-UHFFFAOYSA-N
XLogP2.95
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370448
3-(1H-benzimidazol-2-yl)-4-methoxybenzoic acid
CID 168554913
2-(4-ethylsulfanyl-2-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 70493239
2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 81288878
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
2-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-methoxyphenoxy]propanoic acid
CID 46997995
2-(2-methylsulfanylphenyl)-3H-benzimidazole-5-carboxylic acid
CID 79217746
2-[4-methoxy-3-(methoxymethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 46984084
methyl 2-anthracen-1-yl-3H-benzimidazole-5-carboxylate
CID 175322054
methyl 2-(5-bromonaphthalen-1-yl)-3H-benzimidazole-5-carboxylate
CID 91673779
2-[3-(6-carboxy-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-carboxylic acid;hydrochloride
CID 2728750
2-(2-hydroxyphenyl)-N-[(E)-(2-methoxyphenyl)methylideneamino]-3H-benzimidazole-5-carboxamide
CID 136781271

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid (CID 26370419) is 2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid is COc1cccc(-c2nc3ccc(C(=O)O)cc3[nH]2)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is SYYIKFBZWDDZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-13-5-3-4-10(14(13)22-2)15-17-11-7-6-9(16(19)20)8-12(11)18-15/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid?
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 26370419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).