5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide

C24H24Cl3N3O — CID 10116471

IUPAC5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl3N3O/c1-30-22(15-8-10-16(25)11-9-15)21(19-13-12-17(26)14-20(19)27)29-23(30)24(31)28-18-6-4-2-3-5-7-18/h8-14,18H,2-7H2,1H3,(H,28,31)
InChIKeyJQWWOHUHTHGKFI-UHFFFAOYSA-N
MW476.84 g/mol
LogP7.17
Rot. Bonds4

About 5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide

5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide (PubChem CID 10116471) has the molecular formula C24H24Cl3N3O and a molecular weight of 476.84 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
PubChem CID10116471
Molecular FormulaC24H24Cl3N3O
Molecular Weight476.84 g/mol
Exact Mass475.10
IUPAC Name5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl3N3O/c1-30-22(15-8-10-16(25)11-9-15)21(19-13-12-17(26)14-20(19)27)29-23(30)24(31)28-18-6-4-2-3-5-7-18/h8-14,18H,2-7H2,1H3,(H,28,31)
InChIKeyJQWWOHUHTHGKFI-UHFFFAOYSA-N
XLogP7.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.84
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide (CID 10116471) is 5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide is Cn1c(C(=O)NC2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
The InChIKey is JQWWOHUHTHGKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl3N3O/c1-30-22(15-8-10-16(25)11-9-15)21(19-13-12-17(26)14-20(19)27)29-23(30)24(31)28-18-6-4-2-3-5-7-18/h8-14,18H,2-7H2,1H3,(H,28,31).
What are the key properties of 5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide has a molecular weight of 476.84 g/mol, XLogP of 7.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-cycloheptyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 10116471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).