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

C16H14N2O3 — CID 673262

IUPAC2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid
SMILESCn1c(COc2ccccc2C(=O)O)nc2ccccc21
InChIInChI=1S/C16H14N2O3/c1-18-13-8-4-3-7-12(13)17-15(18)10-21-14-9-5-2-6-11(14)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyQUUVEEJIGXHAME-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.85
Rot. Bonds4

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

2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid (PubChem CID 673262) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid
PubChem CID673262
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid
SMILESCn1c(COc2ccccc2C(=O)O)nc2ccccc21
InChIInChI=1S/C16H14N2O3/c1-18-13-8-4-3-7-12(13)17-15(18)10-21-14-9-5-2-6-11(14)16(19)20/h2-9H,10H2,1H3,(H,19,20)
InChIKeyQUUVEEJIGXHAME-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 2-[(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 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid?
The IUPAC name of 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid (CID 673262) is 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid.
What is the SMILES notation for 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid?
The canonical SMILES for 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid is Cn1c(COc2ccccc2C(=O)O)nc2ccccc21.
What is the InChIKey of 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid?
The InChIKey is QUUVEEJIGXHAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-18-13-8-4-3-7-12(13)17-15(18)10-21-14-9-5-2-6-11(14)16(19)20/h2-9H,10H2,1H3,(H,19,20).
What are the key properties of 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid?
2-[(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 2-[(1-methylbenzimidazol-2-yl)methoxy]benzoic acid is sourced from PubChem (CID 673262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).