3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid

C11H11ClN2O2 — CID 84799353

IUPAC3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid
SMILESCc1ccc2c(c1)nc(Cl)n2CCC(=O)O
InChIInChI=1S/C11H11ClN2O2/c1-7-2-3-9-8(6-7)13-11(12)14(9)5-4-10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyVMEWWEANDQPFOE-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.47
Rot. Bonds3

About 3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid

3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid (PubChem CID 84799353) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid
PubChem CID84799353
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid
SMILESCc1ccc2c(c1)nc(Cl)n2CCC(=O)O
InChIInChI=1S/C11H11ClN2O2/c1-7-2-3-9-8(6-7)13-11(12)14(9)5-4-10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16)
InChIKeyVMEWWEANDQPFOE-UHFFFAOYSA-N
XLogP2.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoic acid
CID 117264154
4-[5-methyl-1-(3-oxobutyl)benzimidazol-2-yl]butanoic acid
CID 82332889
4-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333305
3-(2-amino-5-chlorobenzimidazol-1-yl)propanoic acid
CID 82359358
4-(1-ethyl-5-methylbenzimidazol-2-yl)butanoic acid
CID 60784508
3-[5,6-dimethyl-2-(4-methylphenyl)benzimidazol-1-yl]propanoic acid
CID 94747971
4-[2-(1-aminoethyl)-5-methylbenzimidazol-1-yl]butan-2-one
CID 82333004
2-(2-ethyl-5-methylbenzimidazol-1-yl)acetic acid
CID 84786090
2-[1-(3-methoxy-3-oxopropyl)-5-methylbenzimidazol-2-yl]sulfanylacetic acid
CID 61294074
4-[2-(1-chloroethyl)-5-methylbenzimidazol-1-yl]butanamide
CID 60863978
ethyl 3-(2-chloro-6-methyl-4-oxoquinazolin-3-yl)propanoate
CID 170902286
5-(2-amino-5-methylbenzimidazol-1-yl)pentanamide
CID 106239939

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of 3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid (CID 84799353) is 3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for 3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for 3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid is Cc1ccc2c(c1)nc(Cl)n2CCC(=O)O.
What is the InChIKey of 3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid?
The InChIKey is VMEWWEANDQPFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7-2-3-9-8(6-7)13-11(12)14(9)5-4-10(15)16/h2-3,6H,4-5H2,1H3,(H,15,16).
What are the key properties of 3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid?
3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid has a molecular weight of 238.67 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-5-methylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 84799353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).