2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one

C24H21ClN4O — CID 59262337

IUPAC2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1Cc1ccccn1
InChIInChI=1S/C24H21ClN4O/c25-20-8-4-6-17(14-20)16-5-3-7-19(13-16)24(18-10-11-18)22(30)29(23(26)28-24)15-21-9-1-2-12-27-21/h1-9,12-14,18H,10-11,15H2,(H2,26,28)
InChIKeyRWSKESOPCWCXOR-UHFFFAOYSA-N
MW416.91 g/mol
LogP4.36
Rot. Bonds5

About 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one

2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one (PubChem CID 59262337) has the molecular formula C24H21ClN4O and a molecular weight of 416.91 g/mol. Its IUPAC name is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one.

Molecular Properties

Compound Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one
PubChem CID59262337
Molecular FormulaC24H21ClN4O
Molecular Weight416.91 g/mol
Exact Mass416.14
IUPAC Name2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one
SMILESNC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1Cc1ccccn1
InChIInChI=1S/C24H21ClN4O/c25-20-8-4-6-17(14-20)16-5-3-7-19(13-16)24(18-10-11-18)22(30)29(23(26)28-24)15-21-9-1-2-12-27-21/h1-9,12-14,18H,10-11,15H2,(H2,26,28)
InChIKeyRWSKESOPCWCXOR-UHFFFAOYSA-N
XLogP4.36
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.91
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one 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-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one?
The IUPAC name of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one (CID 59262337) is 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one.
What is the SMILES notation for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one?
The canonical SMILES for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one is NC1=NC(c2cccc(-c3cccc(Cl)c3)c2)(C2CC2)C(=O)N1Cc1ccccn1.
What is the InChIKey of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one?
The InChIKey is RWSKESOPCWCXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O/c25-20-8-4-6-17(14-20)16-5-3-7-19(13-16)24(18-10-11-18)22(30)29(23(26)28-24)15-21-9-1-2-12-27-21/h1-9,12-14,18H,10-11,15H2,(H2,26,28).
What are the key properties of 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one?
2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one has a molecular weight of 416.91 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[3-(3-chlorophenyl)phenyl]-5-cyclopropyl-3-(pyridin-2-ylmethyl)imidazol-4-one is sourced from PubChem (CID 59262337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).