3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid

C13H14N2O2 — CID 28752852

IUPAC3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
SMILESO=C(O)CCn1c(C2CC2)nc2ccccc21
InChIInChI=1S/C13H14N2O2/c16-12(17)7-8-15-11-4-2-1-3-10(11)14-13(15)9-5-6-9/h1-4,9H,5-8H2,(H,16,17)
InChIKeyBTMHLWQENPVQMQ-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.39
Rot. Bonds4

About 3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid

3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid (PubChem CID 28752852) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
PubChem CID28752852
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid
SMILESO=C(O)CCn1c(C2CC2)nc2ccccc21
InChIInChI=1S/C13H14N2O2/c16-12(17)7-8-15-11-4-2-1-3-10(11)14-13(15)9-5-6-9/h1-4,9H,5-8H2,(H,16,17)
InChIKeyBTMHLWQENPVQMQ-UHFFFAOYSA-N
XLogP2.39
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-cyclohexylbenzimidazol-1-yl)propanoyl-(2-phenylethyl)amino]propanoic acid
CID 110077162
2-cyclopropyl-1-(4-phenoxybutyl)benzimidazole
CID 18878621
3-(2-cyclohexylbenzimidazol-1-yl)propanamide;2,2-dimethylpropane;ethane
CID 145335496
2-cyclopentyl-1-(2-phenylethyl)benzimidazole
CID 102490479
2-cyclopropyl-1-(3-phenoxypropyl)benzimidazole;hydrochloride
CID 16615456
3-[(2-cyclopropylbenzimidazol-1-yl)methyl]benzoic acid
CID 82144581
3-(2-ethylbenzimidazol-1-yl)propanoic acid chloride
CID 53347020
3-(3-methyl-2-oxoquinoxalin-1-yl)propanoic acid
CID 62374383
2-cyclopentyl-1-(3-phenylpropyl)benzimidazole
CID 134083928
4-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 22716378
2-[(2-cyclobutylbenzimidazol-1-yl)methyl]benzoic acid
CID 94747736
N-[1-(2-amino-1,3-thiazol-4-yl)ethyl]-3-(2-cyclopropylbenzimidazol-1-yl)propanamide
CID 166298815

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid (CID 28752852) is 3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid is O=C(O)CCn1c(C2CC2)nc2ccccc21.
What is the InChIKey of 3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid?
The InChIKey is BTMHLWQENPVQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-12(17)7-8-15-11-4-2-1-3-10(11)14-13(15)9-5-6-9/h1-4,9H,5-8H2,(H,16,17).
What are the key properties of 3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid?
3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid has a molecular weight of 230.27 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopropylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 28752852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).