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

C24H24Cl3N3O — CID 11306088

IUPAC1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl3N3O/c1-15-22(24(31)28-18-6-4-2-3-5-7-18)29-23(20-13-10-17(26)14-21(20)27)30(15)19-11-8-16(25)9-12-19/h8-14,18H,2-7H2,1H3,(H,28,31)
InChIKeyUEZSMNDTKLDUHX-UHFFFAOYSA-N
MW476.84 g/mol
LogP7.26
Rot. Bonds4

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

1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide (PubChem CID 11306088) has the molecular formula C24H24Cl3N3O and a molecular weight of 476.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide
PubChem CID11306088
Molecular FormulaC24H24Cl3N3O
Molecular Weight476.84 g/mol
Exact Mass475.10
IUPAC Name1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide
SMILESCc1c(C(=O)NC2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1
InChIInChI=1S/C24H24Cl3N3O/c1-15-22(24(31)28-18-6-4-2-3-5-7-18)29-23(20-13-10-17(26)14-21(20)27)30(15)19-11-8-16(25)9-12-19/h8-14,18H,2-7H2,1H3,(H,28,31)
InChIKeyUEZSMNDTKLDUHX-UHFFFAOYSA-N
XLogP7.26
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 ≤ 57.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide (CID 11306088) is 1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide is Cc1c(C(=O)NC2CCCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide?
The InChIKey is UEZSMNDTKLDUHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24Cl3N3O/c1-15-22(24(31)28-18-6-4-2-3-5-7-18)29-23(20-13-10-17(26)14-21(20)27)30(15)19-11-8-16(25)9-12-19/h8-14,18H,2-7H2,1H3,(H,28,31).
What are the key properties of 1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide?
1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide has a molecular weight of 476.84 g/mol, XLogP of 7.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-cycloheptyl-2-(2,4-dichlorophenyl)-5-methylimidazole-4-carboxamide is sourced from PubChem (CID 11306088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).