2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid

C17H17N3O2 — CID 82358989

IUPAC2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid
SMILESNc1nc2ccccc2n1C(CCc1ccccc1)C(=O)O
InChIInChI=1S/C17H17N3O2/c18-17-19-13-8-4-5-9-14(13)20(17)15(16(21)22)11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,18,19)(H,21,22)
InChIKeyINPZUNIPKDTRHA-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.88
Rot. Bonds5

About 2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid

2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid (PubChem CID 82358989) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid.

Molecular Properties

Compound Name2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid
PubChem CID82358989
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid
SMILESNc1nc2ccccc2n1C(CCc1ccccc1)C(=O)O
InChIInChI=1S/C17H17N3O2/c18-17-19-13-8-4-5-9-14(13)20(17)15(16(21)22)11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,18,19)(H,21,22)
InChIKeyINPZUNIPKDTRHA-UHFFFAOYSA-N
XLogP2.88
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-aminobenzimidazol-1-yl)butanoate
CID 82358918
2-(2-aminobenzimidazol-1-yl)-4-(4-methylphenyl)butan-1-ol
CID 155774431
3-(2-aminobenzimidazol-1-yl)butan-2-one
CID 82358956
2-aminobenzimidazole-1-carboxylic acid
CID 20537592
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
2-[2-(4-hydroxyphenyl)benzimidazol-1-yl]-4-phenyl-N-propan-2-ylbutanamide
CID 135844964
N-butyl-4-phenyl-2-(2-phenylbenzimidazol-1-yl)butanamide
CID 177424273
2-(2-oxo-3-phenylquinoxalin-1-yl)-N-pentyl-4-phenylbutanamide
CID 53383103
7-methyl-1-(4-phenylbutan-2-yl)benzimidazol-2-amine
CID 115552403
propyl 2-(2-aminobenzimidazol-1-yl)propanoate
CID 82358921
2-(5-nitroindol-1-yl)-4-phenylbutanoic acid
CID 174549983
N-benzyl-2-[3-(1H-indol-2-yl)-2-oxoquinoxalin-1-yl]-4-phenylbutanamide
CID 53383368

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid?
The IUPAC name of 2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid (CID 82358989) is 2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid.
What is the SMILES notation for 2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid?
The canonical SMILES for 2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid is Nc1nc2ccccc2n1C(CCc1ccccc1)C(=O)O.
What is the InChIKey of 2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid?
The InChIKey is INPZUNIPKDTRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-17-19-13-8-4-5-9-14(13)20(17)15(16(21)22)11-10-12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H2,18,19)(H,21,22).
What are the key properties of 2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid?
2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid has a molecular weight of 295.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobenzimidazol-1-yl)-4-phenylbutanoic acid is sourced from PubChem (CID 82358989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).