5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one

C24H22Cl2N4O — CID 91610083

IUPAC5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one
SMILESCN(C)c1ccc(-c2c(NCc3ccccc3)[nH]c(=O)n2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H22Cl2N4O/c1-29(2)18-10-8-17(9-11-18)22-23(27-15-16-6-4-3-5-7-16)28-24(31)30(22)19-12-13-20(25)21(26)14-19/h3-14,27H,15H2,1-2H3,(H,28,31)
InChIKeyQQWLPBSIOJKREP-UHFFFAOYSA-N
MW453.37 g/mol
LogP5.82
Rot. Bonds6

About 5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one

5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one (PubChem CID 91610083) has the molecular formula C24H22Cl2N4O and a molecular weight of 453.37 g/mol. Its IUPAC name is 5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one
PubChem CID91610083
Molecular FormulaC24H22Cl2N4O
Molecular Weight453.37 g/mol
Exact Mass452.12
IUPAC Name5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one
SMILESCN(C)c1ccc(-c2c(NCc3ccccc3)[nH]c(=O)n2-c2ccc(Cl)c(Cl)c2)cc1
InChIInChI=1S/C24H22Cl2N4O/c1-29(2)18-10-8-17(9-11-18)22-23(27-15-16-6-4-3-5-7-16)28-24(31)30(22)19-12-13-20(25)21(26)14-19/h3-14,27H,15H2,1-2H3,(H,28,31)
InChIKeyQQWLPBSIOJKREP-UHFFFAOYSA-N
XLogP5.82
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.37
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-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 5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one?
The IUPAC name of 5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one (CID 91610083) is 5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one is CN(C)c1ccc(-c2c(NCc3ccccc3)[nH]c(=O)n2-c2ccc(Cl)c(Cl)c2)cc1.
What is the InChIKey of 5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one?
The InChIKey is QQWLPBSIOJKREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2N4O/c1-29(2)18-10-8-17(9-11-18)22-23(27-15-16-6-4-3-5-7-16)28-24(31)30(22)19-12-13-20(25)21(26)14-19/h3-14,27H,15H2,1-2H3,(H,28,31).
What are the key properties of 5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one?
5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one has a molecular weight of 453.37 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-3-(3,4-dichlorophenyl)-4-[4-(dimethylamino)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 91610083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).