3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile

C24H25Cl2N3O2 — CID 163880230

IUPAC3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile
SMILESCC[C@@H](Cl)C(C)N1C(=O)N(c2ccc(Cl)cc2)C(O)(c2cccc(C#N)c2)C1C1CC1
InChIInChI=1S/C24H25Cl2N3O2/c1-3-21(26)15(2)28-22(17-7-8-17)24(31,18-6-4-5-16(13-18)14-27)29(23(28)30)20-11-9-19(25)10-12-20/h4-6,9-13,15,17,21-22,31H,3,7-8H2,1-2H3/t15?,21-,22?,24?/m1/s1
InChIKeyPSNULDFZMHYURJ-WVZFTFJLSA-N
MW458.39 g/mol
LogP5.48
Rot. Bonds6

About 3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile

3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile (PubChem CID 163880230) has the molecular formula C24H25Cl2N3O2 and a molecular weight of 458.39 g/mol. Its IUPAC name is 3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile.

Molecular Properties

Compound Name3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile
PubChem CID163880230
Molecular FormulaC24H25Cl2N3O2
Molecular Weight458.39 g/mol
Exact Mass457.13
IUPAC Name3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile
SMILESCC[C@@H](Cl)C(C)N1C(=O)N(c2ccc(Cl)cc2)C(O)(c2cccc(C#N)c2)C1C1CC1
InChIInChI=1S/C24H25Cl2N3O2/c1-3-21(26)15(2)28-22(17-7-8-17)24(31,18-6-4-5-16(13-18)14-27)29(23(28)30)20-11-9-19(25)10-12-20/h4-6,9-13,15,17,21-22,31H,3,7-8H2,1-2H3/t15?,21-,22?,24?/m1/s1
InChIKeyPSNULDFZMHYURJ-WVZFTFJLSA-N
XLogP5.48
TPSA67.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.39
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile 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 3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile?
The IUPAC name of 3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile (CID 163880230) is 3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile.
What is the SMILES notation for 3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile?
The canonical SMILES for 3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile is CC[C@@H](Cl)C(C)N1C(=O)N(c2ccc(Cl)cc2)C(O)(c2cccc(C#N)c2)C1C1CC1.
What is the InChIKey of 3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile?
The InChIKey is PSNULDFZMHYURJ-WVZFTFJLSA-N. The full InChI is InChI=1S/C24H25Cl2N3O2/c1-3-21(26)15(2)28-22(17-7-8-17)24(31,18-6-4-5-16(13-18)14-27)29(23(28)30)20-11-9-19(25)10-12-20/h4-6,9-13,15,17,21-22,31H,3,7-8H2,1-2H3/t15?,21-,22?,24?/m1/s1.
What are the key properties of 3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile?
3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile has a molecular weight of 458.39 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3R)-3-chloropentan-2-yl]-3-(4-chlorophenyl)-5-cyclopropyl-4-hydroxy-2-oxoimidazolidin-4-yl]benzonitrile is sourced from PubChem (CID 163880230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).