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

C16H14N2O4 — CID 26370448

IUPAC2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
SMILESCOc1ccc(OC)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1
InChIInChI=1S/C16H14N2O4/c1-21-10-4-6-14(22-2)11(8-10)15-17-12-5-3-9(16(19)20)7-13(12)18-15/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyWOUDRFOZPQYMFW-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.95
Rot. Bonds4

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

2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid (PubChem CID 26370448) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
PubChem CID26370448
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
SMILESCOc1ccc(OC)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1
InChIInChI=1S/C16H14N2O4/c1-21-10-4-6-14(22-2)11(8-10)15-17-12-5-3-9(16(19)20)7-13(12)18-15/h3-8H,1-2H3,(H,17,18)(H,19,20)
InChIKeyWOUDRFOZPQYMFW-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

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Related Compounds

3-(1H-benzimidazol-2-yl)-4-methoxybenzoic acid
CID 168554913
2-(2,3-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 26370419
6-chloro-2-(2,5-dimethoxyphenyl)-1H-benzimidazole
CID 60646512
2-(2,5-dimethoxyphenyl)-5,6-dimethyl-1H-benzimidazole
CID 62337492
2-(4-ethylsulfanyl-2-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 70493239
2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzimidazole
CID 110538644
2-[4-methoxy-3-(methoxymethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 46984084
2-[3-chloro-4-(3,4-dimethoxyphenoxy)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 68841961
2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 81288878
N-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]acetamide
CID 18984570
5-carbamoyl-2-[2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)phenyl]benzoic acid
CID 155004086
methyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 1229665

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid (CID 26370448) is 2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid is COc1ccc(OC)c(-c2nc3ccc(C(=O)O)cc3[nH]2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid?
The InChIKey is WOUDRFOZPQYMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-10-4-6-14(22-2)11(8-10)15-17-12-5-3-9(16(19)20)7-13(12)18-15/h3-8H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid?
2-(2,5-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-(2,5-dimethoxyphenyl)-3H-benzimidazole-5-carboxylic acid is sourced from PubChem (CID 26370448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).