1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide

C25H27Cl3N4O — CID 58961385

IUPAC1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide
SMILESCN(C)Cc1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C25H27Cl3N4O/c1-31(2)15-22-23(25(33)29-18-6-4-3-5-7-18)30-24(20-13-10-17(27)14-21(20)28)32(22)19-11-8-16(26)9-12-19/h8-14,18H,3-7,15H2,1-2H3,(H,29,33)
InChIKeySUKLGYYHKWBPAB-UHFFFAOYSA-N
MW505.88 g/mol
LogP6.62
Rot. Bonds6

About 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide

1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide (PubChem CID 58961385) has the molecular formula C25H27Cl3N4O and a molecular weight of 505.88 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide
PubChem CID58961385
Molecular FormulaC25H27Cl3N4O
Molecular Weight505.88 g/mol
Exact Mass504.13
IUPAC Name1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide
SMILESCN(C)Cc1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C25H27Cl3N4O/c1-31(2)15-22-23(25(33)29-18-6-4-3-5-7-18)30-24(20-13-10-17(27)14-21(20)28)32(22)19-11-8-16(26)9-12-19/h8-14,18H,3-7,15H2,1-2H3,(H,29,33)
InChIKeySUKLGYYHKWBPAB-UHFFFAOYSA-N
XLogP6.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.88
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide (CID 58961385) is 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide is CN(C)Cc1c(C(=O)NC2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide?
The InChIKey is SUKLGYYHKWBPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27Cl3N4O/c1-31(2)15-22-23(25(33)29-18-6-4-3-5-7-18)30-24(20-13-10-17(27)14-21(20)28)32(22)19-11-8-16(26)9-12-19/h8-14,18H,3-7,15H2,1-2H3,(H,29,33).
What are the key properties of 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide?
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide has a molecular weight of 505.88 g/mol, XLogP of 6.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-5-[(dimethylamino)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 58961385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).