(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid

C13H16N2O2 — CID 7424145

IUPAC(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
SMILESCCCc1nc2ccccc2n1[C@@H](C)C(=O)O
InChIInChI=1S/C13H16N2O2/c1-3-6-12-14-10-7-4-5-8-11(10)15(12)9(2)13(16)17/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyOFYZINWGFMTKOQ-VIFPVBQESA-N
MW232.28 g/mol
LogP2.63
Rot. Bonds4

About (2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid

(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid (PubChem CID 7424145) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
PubChem CID7424145
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid
SMILESCCCc1nc2ccccc2n1[C@@H](C)C(=O)O
InChIInChI=1S/C13H16N2O2/c1-3-6-12-14-10-7-4-5-8-11(10)15(12)9(2)13(16)17/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)/t9-/m0/s1
InChIKeyOFYZINWGFMTKOQ-VIFPVBQESA-N
XLogP2.63
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-butylbenzimidazol-1-yl)propanoic acid;hydrochloride
CID 75530812
2-[2-(aminomethyl)benzimidazol-1-yl]propanoic acid
CID 82024672
2-(2-methylbenzimidazol-1-yl)propanoic acid
CID 5236849
ethyl 2-(2-propylbenzimidazol-1-yl)butanoate
CID 115970669
2-(5,6-dichloro-2-propylbenzimidazol-1-yl)propanoic acid
CID 82145985
2-[2-[(4-aminophenyl)methyl]benzimidazol-1-yl]propanoic acid
CID 82024733
2-(2-pentan-3-ylbenzimidazol-1-yl)propanoic acid
CID 82144571
2-[2-(morpholin-4-ylmethyl)benzimidazol-1-yl]propanoic acid
CID 82311029
(2S)-2-(2-ethylbenzimidazol-1-yl)propanamide
CID 94671511
N-methyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632401
N-ethyl-2-(2-propylbenzimidazol-1-yl)propan-1-amine
CID 112632434
2-[2-[(2,3-dimethylphenoxy)methyl]benzimidazol-1-yl]propanoic acid
CID 82144856

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid?
The IUPAC name of (2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid (CID 7424145) is (2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid.
What is the SMILES notation for (2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid?
The canonical SMILES for (2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid is CCCc1nc2ccccc2n1[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid?
The InChIKey is OFYZINWGFMTKOQ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H16N2O2/c1-3-6-12-14-10-7-4-5-8-11(10)15(12)9(2)13(16)17/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)/t9-/m0/s1.
What are the key properties of (2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid?
(2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid has a molecular weight of 232.28 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-propylbenzimidazol-1-yl)propanoic acid is sourced from PubChem (CID 7424145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).