3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile

C25H26N4O — CID 86273841

IUPAC3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(C3(C4CC4)N=C(N)N(C4CCCCC4)C3=O)c2)c1
InChIInChI=1S/C25H26N4O/c26-16-17-6-4-7-18(14-17)19-8-5-9-21(15-19)25(20-12-13-20)23(30)29(24(27)28-25)22-10-2-1-3-11-22/h4-9,14-15,20,22H,1-3,10-13H2,(H2,27,28)
InChIKeyCVJWKPRTKIYMOI-UHFFFAOYSA-N
MW398.51 g/mol
LogP4.32
Rot. Bonds4

About 3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile

3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile (PubChem CID 86273841) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile
PubChem CID86273841
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile
SMILESN#Cc1cccc(-c2cccc(C3(C4CC4)N=C(N)N(C4CCCCC4)C3=O)c2)c1
InChIInChI=1S/C25H26N4O/c26-16-17-6-4-7-18(14-17)19-8-5-9-21(15-19)25(20-12-13-20)23(30)29(24(27)28-25)22-10-2-1-3-11-22/h4-9,14-15,20,22H,1-3,10-13H2,(H2,27,28)
InChIKeyCVJWKPRTKIYMOI-UHFFFAOYSA-N
XLogP4.32
TPSA82.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]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-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile?
The IUPAC name of 3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile (CID 86273841) is 3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile.
What is the SMILES notation for 3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile?
The canonical SMILES for 3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile is N#Cc1cccc(-c2cccc(C3(C4CC4)N=C(N)N(C4CCCCC4)C3=O)c2)c1.
What is the InChIKey of 3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile?
The InChIKey is CVJWKPRTKIYMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c26-16-17-6-4-7-18(14-17)19-8-5-9-21(15-19)25(20-12-13-20)23(30)29(24(27)28-25)22-10-2-1-3-11-22/h4-9,14-15,20,22H,1-3,10-13H2,(H2,27,28).
What are the key properties of 3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile?
3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile has a molecular weight of 398.51 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-amino-1-cyclohexyl-4-cyclopropyl-5-oxoimidazol-4-yl)phenyl]benzonitrile is sourced from PubChem (CID 86273841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).