(5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one

C32H29N3O — CID 149261664

IUPAC(5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one
SMILESCCCN1C(=O)/C(=C/c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)N=C1C
InChIInChI=1S/C32H29N3O/c1-3-22-34-24(2)33-31(32(34)36)23-25-14-16-26(17-15-25)27-18-20-30(21-19-27)35(28-10-6-4-7-11-28)29-12-8-5-9-13-29/h4-21,23H,3,22H2,1-2H3/b31-23-
InChIKeyXPIVDHZLBPGYNG-SXBRIOAWSA-N
MW471.60 g/mol
LogP7.83
Rot. Bonds7

About (5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one

(5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one (PubChem CID 149261664) has the molecular formula C32H29N3O and a molecular weight of 471.60 g/mol. Its IUPAC name is (5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one.

Molecular Properties

Compound Name(5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one
PubChem CID149261664
Molecular FormulaC32H29N3O
Molecular Weight471.60 g/mol
Exact Mass471.23
IUPAC Name(5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one
SMILESCCCN1C(=O)/C(=C/c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)N=C1C
InChIInChI=1S/C32H29N3O/c1-3-22-34-24(2)33-31(32(34)36)23-25-14-16-26(17-15-25)27-18-20-30(21-19-27)35(28-10-6-4-7-11-28)29-12-8-5-9-13-29/h4-21,23H,3,22H2,1-2H3/b31-23-
InChIKeyXPIVDHZLBPGYNG-SXBRIOAWSA-N
XLogP7.83
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.60
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-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 (5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one?
The IUPAC name of (5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one (CID 149261664) is (5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one.
What is the SMILES notation for (5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one?
The canonical SMILES for (5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one is CCCN1C(=O)/C(=C/c2ccc(-c3ccc(N(c4ccccc4)c4ccccc4)cc3)cc2)N=C1C.
What is the InChIKey of (5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one?
The InChIKey is XPIVDHZLBPGYNG-SXBRIOAWSA-N. The full InChI is InChI=1S/C32H29N3O/c1-3-22-34-24(2)33-31(32(34)36)23-25-14-16-26(17-15-25)27-18-20-30(21-19-27)35(28-10-6-4-7-11-28)29-12-8-5-9-13-29/h4-21,23H,3,22H2,1-2H3/b31-23-.
What are the key properties of (5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one?
(5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one has a molecular weight of 471.60 g/mol, XLogP of 7.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-methyl-5-[[4-[4-(N-phenylanilino)phenyl]phenyl]methylidene]-3-propylimidazol-4-one is sourced from PubChem (CID 149261664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).