2-(6-methoxybenzimidazol-1-yl)acetic acid

C10H10N2O3 — CID 84778979

IUPAC2-(6-methoxybenzimidazol-1-yl)acetic acid
SMILESCOc1ccc2ncn(CC(=O)O)c2c1
InChIInChI=1S/C10H10N2O3/c1-15-7-2-3-8-9(4-7)12(6-11-8)5-10(13)14/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyLSARVUKQWAPNME-UHFFFAOYSA-N
MW206.20 g/mol
LogP1.13
Rot. Bonds3

About 2-(6-methoxybenzimidazol-1-yl)acetic acid

2-(6-methoxybenzimidazol-1-yl)acetic acid (PubChem CID 84778979) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 2-(6-methoxybenzimidazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(6-methoxybenzimidazol-1-yl)acetic acid
PubChem CID84778979
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name2-(6-methoxybenzimidazol-1-yl)acetic acid
SMILESCOc1ccc2ncn(CC(=O)O)c2c1
InChIInChI=1S/C10H10N2O3/c1-15-7-2-3-8-9(4-7)12(6-11-8)5-10(13)14/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyLSARVUKQWAPNME-UHFFFAOYSA-N
XLogP1.13
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-methoxybenzimidazol-1-yl)acetic 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-(6-methoxybenzimidazol-1-yl)acetic acid?
The IUPAC name of 2-(6-methoxybenzimidazol-1-yl)acetic acid (CID 84778979) is 2-(6-methoxybenzimidazol-1-yl)acetic acid.
What is the SMILES notation for 2-(6-methoxybenzimidazol-1-yl)acetic acid?
The canonical SMILES for 2-(6-methoxybenzimidazol-1-yl)acetic acid is COc1ccc2ncn(CC(=O)O)c2c1.
What is the InChIKey of 2-(6-methoxybenzimidazol-1-yl)acetic acid?
The InChIKey is LSARVUKQWAPNME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c1-15-7-2-3-8-9(4-7)12(6-11-8)5-10(13)14/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of 2-(6-methoxybenzimidazol-1-yl)acetic acid?
2-(6-methoxybenzimidazol-1-yl)acetic acid has a molecular weight of 206.20 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxybenzimidazol-1-yl)acetic acid is sourced from PubChem (CID 84778979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).