4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid

C16H14N2O3 — CID 974490

IUPAC4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid
SMILESCn1c(COc2ccc(C(=O)O)cc2)nc2ccccc21
InChIInChI=1S/C16H14N2O3/c1-18-14-5-3-2-4-13(14)17-15(18)10-21-12-8-6-11(7-9-12)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyYGWCWFXGECHNCC-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.85
Rot. Bonds4

About 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid

4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid (PubChem CID 974490) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid
PubChem CID974490
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid
SMILESCn1c(COc2ccc(C(=O)O)cc2)nc2ccccc21
InChIInChI=1S/C16H14N2O3/c1-18-14-5-3-2-4-13(14)17-15(18)10-21-12-8-6-11(7-9-12)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyYGWCWFXGECHNCC-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid?
The IUPAC name of 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid (CID 974490) is 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid?
The canonical SMILES for 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid is Cn1c(COc2ccc(C(=O)O)cc2)nc2ccccc21.
What is the InChIKey of 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid?
The InChIKey is YGWCWFXGECHNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-14-5-3-2-4-13(14)17-15(18)10-21-12-8-6-11(7-9-12)16(19)20/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid?
4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid has a molecular weight of 282.30 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 974490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).