2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid

C14H16N2O2 — CID 82497559

IUPAC2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C14H16N2O2/c1-8(14(17)18)10-5-6-12-11(7-10)15-13(16(12)2)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyAJDYIRGBISQSNP-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.64
Rot. Bonds3

About 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid

2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid (PubChem CID 82497559) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid
PubChem CID82497559
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid
SMILESCC(C(=O)O)c1ccc2c(c1)nc(C1CC1)n2C
InChIInChI=1S/C14H16N2O2/c1-8(14(17)18)10-5-6-12-11(7-10)15-13(16(12)2)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,17,18)
InChIKeyAJDYIRGBISQSNP-UHFFFAOYSA-N
XLogP2.64
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic 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

cyclopentyl-(2-cyclopropyl-1-methylbenzimidazol-5-yl)methanamine
CID 82501979
(E)-3-(2-cyclopropyl-1-methylbenzimidazol-5-yl)prop-2-enoic acid
CID 82497233
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-N-(2-methylpropyl)acetamide
CID 110773345
N,2-dicyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 110765996
4-(2-cyclopropyl-1-methylbenzimidazol-5-yl)butan-2-one
CID 82497246
(2-cyclopentyl-1-methylbenzimidazol-5-yl)-cyclopropylmethanone
CID 82501905
1-(2-cyclopropyl-1-methylbenzimidazol-5-yl)-2-(ethylamino)ethanone
CID 96677034
N-benzyl-2-cyclopropyl-N,1-dimethylbenzimidazole-5-carboxamide
CID 110766019
2-cyclopropyl-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 43322840
3-[4-(5-fluoro-1-methylbenzimidazol-2-yl)piperidin-1-yl]propanoic acid
CID 82310169
N-[2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)ethyl]propanamide
CID 110791866
O-[(2-cyclopropyl-1-methylbenzimidazol-5-yl)methyl]hydroxylamine
CID 117309592

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid?
The IUPAC name of 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid (CID 82497559) is 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid.
What is the SMILES notation for 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid?
The canonical SMILES for 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid is CC(C(=O)O)c1ccc2c(c1)nc(C1CC1)n2C.
What is the InChIKey of 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid?
The InChIKey is AJDYIRGBISQSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-8(14(17)18)10-5-6-12-11(7-10)15-13(16(12)2)9-3-4-9/h5-9H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid?
2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopropyl-1-methylbenzimidazol-5-yl)propanoic acid is sourced from PubChem (CID 82497559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).