5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide

C23H16Cl3N3O — CID 10182828

IUPAC5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl3N3O/c1-29-21(14-7-9-15(24)10-8-14)20(18-12-11-16(25)13-19(18)26)28-22(29)23(30)27-17-5-3-2-4-6-17/h2-13H,1H3,(H,27,30)
InChIKeyPYTOVMAWGJFSFX-UHFFFAOYSA-N
MW456.76 g/mol
LogP6.97
Rot. Bonds4

About 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide

5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide (PubChem CID 10182828) has the molecular formula C23H16Cl3N3O and a molecular weight of 456.76 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide
PubChem CID10182828
Molecular FormulaC23H16Cl3N3O
Molecular Weight456.76 g/mol
Exact Mass455.04
IUPAC Name5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C23H16Cl3N3O/c1-29-21(14-7-9-15(24)10-8-14)20(18-12-11-16(25)13-19(18)26)28-22(29)23(30)27-17-5-3-2-4-6-17/h2-13H,1H3,(H,27,30)
InChIKeyPYTOVMAWGJFSFX-UHFFFAOYSA-N
XLogP6.97
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.76
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide (CID 10182828) is 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide is Cn1c(C(=O)Nc2ccccc2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide?
The InChIKey is PYTOVMAWGJFSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16Cl3N3O/c1-29-21(14-7-9-15(24)10-8-14)20(18-12-11-16(25)13-19(18)26)28-22(29)23(30)27-17-5-3-2-4-6-17/h2-13H,1H3,(H,27,30).
What are the key properties of 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide?
5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide has a molecular weight of 456.76 g/mol, XLogP of 6.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(2,4-dichlorophenyl)-1-methyl-N-phenylimidazole-2-carboxamide is sourced from PubChem (CID 10182828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).