2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid

C32H26Cl2N2O3 — CID 126616469

IUPAC2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2nc(C3CC3)n(C[C@H](O)c3ccccc3)c2c1
InChIInChI=1S/C32H26Cl2N2O3/c33-25-13-8-22(9-14-25)32(31(38)39,23-10-15-26(34)16-11-23)24-12-17-27-28(18-24)36(30(35-27)21-6-7-21)19-29(37)20-4-2-1-3-5-20/h1-5,8-18,21,29,37H,6-7,19H2,(H,38,39)/t29-/m0/s1
InChIKeyKJEQIOAOMJECDL-LJAQVGFWSA-N
MW557.48 g/mol
LogP7.37
Rot. Bonds8

About 2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid

2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid (PubChem CID 126616469) has the molecular formula C32H26Cl2N2O3 and a molecular weight of 557.48 g/mol. Its IUPAC name is 2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid.

Molecular Properties

Compound Name2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid
PubChem CID126616469
Molecular FormulaC32H26Cl2N2O3
Molecular Weight557.48 g/mol
Exact Mass556.13
IUPAC Name2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid
SMILESO=C(O)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2nc(C3CC3)n(C[C@H](O)c3ccccc3)c2c1
InChIInChI=1S/C32H26Cl2N2O3/c33-25-13-8-22(9-14-25)32(31(38)39,23-10-15-26(34)16-11-23)24-12-17-27-28(18-24)36(30(35-27)21-6-7-21)19-29(37)20-4-2-1-3-5-20/h1-5,8-18,21,29,37H,6-7,19H2,(H,38,39)/t29-/m0/s1
InChIKeyKJEQIOAOMJECDL-LJAQVGFWSA-N
XLogP7.37
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500557.48
LogP ≤ 57.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid?
The IUPAC name of 2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid (CID 126616469) is 2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid.
What is the SMILES notation for 2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid?
The canonical SMILES for 2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid is O=C(O)C(c1ccc(Cl)cc1)(c1ccc(Cl)cc1)c1ccc2nc(C3CC3)n(C[C@H](O)c3ccccc3)c2c1.
What is the InChIKey of 2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid?
The InChIKey is KJEQIOAOMJECDL-LJAQVGFWSA-N. The full InChI is InChI=1S/C32H26Cl2N2O3/c33-25-13-8-22(9-14-25)32(31(38)39,23-10-15-26(34)16-11-23)24-12-17-27-28(18-24)36(30(35-27)21-6-7-21)19-29(37)20-4-2-1-3-5-20/h1-5,8-18,21,29,37H,6-7,19H2,(H,38,39)/t29-/m0/s1.
What are the key properties of 2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid?
2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid has a molecular weight of 557.48 g/mol, XLogP of 7.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(4-chlorophenyl)-2-[2-cyclopropyl-3-[(2R)-2-hydroxy-2-phenylethyl]benzimidazol-5-yl]acetic acid is sourced from PubChem (CID 126616469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).