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

C22H20Cl3N3O — CID 10275599

IUPAC5-(4-chlorophenyl)-N-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl3N3O/c1-28-20(13-6-8-14(23)9-7-13)19(17-11-10-15(24)12-18(17)25)27-21(28)22(29)26-16-4-2-3-5-16/h6-12,16H,2-5H2,1H3,(H,26,29)
InChIKeyNLHNOVPBFCSLAT-UHFFFAOYSA-N
MW448.78 g/mol
LogP6.39
Rot. Bonds4

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

5-(4-chlorophenyl)-N-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide (PubChem CID 10275599) has the molecular formula C22H20Cl3N3O and a molecular weight of 448.78 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
PubChem CID10275599
Molecular FormulaC22H20Cl3N3O
Molecular Weight448.78 g/mol
Exact Mass447.07
IUPAC Name5-(4-chlorophenyl)-N-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1
InChIInChI=1S/C22H20Cl3N3O/c1-28-20(13-6-8-14(23)9-7-13)19(17-11-10-15(24)12-18(17)25)27-21(28)22(29)26-16-4-2-3-5-16/h6-12,16H,2-5H2,1H3,(H,26,29)
InChIKeyNLHNOVPBFCSLAT-UHFFFAOYSA-N
XLogP6.39
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.78
LogP ≤ 56.39
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-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide (CID 10275599) is 5-(4-chlorophenyl)-N-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide is Cn1c(C(=O)NC2CCCC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
The InChIKey is NLHNOVPBFCSLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3N3O/c1-28-20(13-6-8-14(23)9-7-13)19(17-11-10-15(24)12-18(17)25)27-21(28)22(29)26-16-4-2-3-5-16/h6-12,16H,2-5H2,1H3,(H,26,29).
What are the key properties of 5-(4-chlorophenyl)-N-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
5-(4-chlorophenyl)-N-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide has a molecular weight of 448.78 g/mol, XLogP of 6.39, 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-cyclopentyl-4-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 10275599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).