5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide

C28H28Cl2N4O — CID 67035745

IUPAC5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C28H28Cl2N4O/c1-32(2)17-8-18-33(3)28(35)25-26(21-11-7-12-23(30)19-21)34(24-15-13-22(29)14-16-24)27(31-25)20-9-5-4-6-10-20/h4-7,9-16,19H,8,17-18H2,1-3H3
InChIKeyAAGQXFIVHYCQPT-UHFFFAOYSA-N
MW507.47 g/mol
LogP6.54
Rot. Bonds8

About 5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide

5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide (PubChem CID 67035745) has the molecular formula C28H28Cl2N4O and a molecular weight of 507.47 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide
PubChem CID67035745
Molecular FormulaC28H28Cl2N4O
Molecular Weight507.47 g/mol
Exact Mass506.16
IUPAC Name5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide
SMILESCN(C)CCCN(C)C(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1cccc(Cl)c1
InChIInChI=1S/C28H28Cl2N4O/c1-32(2)17-8-18-33(3)28(35)25-26(21-11-7-12-23(30)19-21)34(24-15-13-22(29)14-16-24)27(31-25)20-9-5-4-6-10-20/h4-7,9-16,19H,8,17-18H2,1-3H3
InChIKeyAAGQXFIVHYCQPT-UHFFFAOYSA-N
XLogP6.54
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.47
LogP ≤ 56.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide (CID 67035745) is 5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide is CN(C)CCCN(C)C(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)c1-c1cccc(Cl)c1.
What is the InChIKey of 5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide?
The InChIKey is AAGQXFIVHYCQPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N4O/c1-32(2)17-8-18-33(3)28(35)25-26(21-11-7-12-23(30)19-21)34(24-15-13-22(29)14-16-24)27(31-25)20-9-5-4-6-10-20/h4-7,9-16,19H,8,17-18H2,1-3H3.
What are the key properties of 5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide?
5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide has a molecular weight of 507.47 g/mol, XLogP of 6.54, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-(4-chlorophenyl)-N-[3-(dimethylamino)propyl]-N-methyl-2-phenylimidazole-4-carboxamide is sourced from PubChem (CID 67035745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).