(3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid

C17H18N2O2 — CID 69369089

IUPAC(3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid
SMILESO=C(O)C[C@@H](Cc1ccccc1)N1CNc2ccccc21
InChIInChI=1S/C17H18N2O2/c20-17(21)11-14(10-13-6-2-1-3-7-13)19-12-18-15-8-4-5-9-16(15)19/h1-9,14,18H,10-12H2,(H,20,21)/t14-/m1/s1
InChIKeyGGAWQVQIYCAMDI-CQSZACIVSA-N
MW282.34 g/mol
LogP2.96
Rot. Bonds5

About (3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid

(3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid (PubChem CID 69369089) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is (3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid.

Molecular Properties

Compound Name(3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid
PubChem CID69369089
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name(3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid
SMILESO=C(O)C[C@@H](Cc1ccccc1)N1CNc2ccccc21
InChIInChI=1S/C17H18N2O2/c20-17(21)11-14(10-13-6-2-1-3-7-13)19-12-18-15-8-4-5-9-16(15)19/h1-9,14,18H,10-12H2,(H,20,21)/t14-/m1/s1
InChIKeyGGAWQVQIYCAMDI-CQSZACIVSA-N
XLogP2.96
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid?
The IUPAC name of (3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid (CID 69369089) is (3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid.
What is the SMILES notation for (3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid?
The canonical SMILES for (3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid is O=C(O)C[C@@H](Cc1ccccc1)N1CNc2ccccc21.
What is the InChIKey of (3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid?
The InChIKey is GGAWQVQIYCAMDI-CQSZACIVSA-N. The full InChI is InChI=1S/C17H18N2O2/c20-17(21)11-14(10-13-6-2-1-3-7-13)19-12-18-15-8-4-5-9-16(15)19/h1-9,14,18H,10-12H2,(H,20,21)/t14-/m1/s1.
What are the key properties of (3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid?
(3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid has a molecular weight of 282.34 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3-dihydrobenzimidazol-1-yl)-4-phenylbutanoic acid is sourced from PubChem (CID 69369089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).