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

C21H20Cl3N3O — CID 10274740

IUPACN-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
SMILESCn1c(C(=O)NC(C)(C)C)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20Cl3N3O/c1-21(2,3)26-20(28)19-25-17(12-5-7-13(22)8-6-12)18(27(19)4)15-10-9-14(23)11-16(15)24/h5-11H,1-4H3,(H,26,28)
InChIKeyBBMNTMHPDUFYKL-UHFFFAOYSA-N
MW436.77 g/mol
LogP6.24
Rot. Bonds3

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

N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide (PubChem CID 10274740) has the molecular formula C21H20Cl3N3O and a molecular weight of 436.77 g/mol. Its IUPAC name is N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
PubChem CID10274740
Molecular FormulaC21H20Cl3N3O
Molecular Weight436.77 g/mol
Exact Mass435.07
IUPAC NameN-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide
SMILESCn1c(C(=O)NC(C)(C)C)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H20Cl3N3O/c1-21(2,3)26-20(28)19-25-17(12-5-7-13(22)8-6-12)18(27(19)4)15-10-9-14(23)11-16(15)24/h5-11H,1-4H3,(H,26,28)
InChIKeyBBMNTMHPDUFYKL-UHFFFAOYSA-N
XLogP6.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
The IUPAC name of N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide (CID 10274740) is N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide is Cn1c(C(=O)NC(C)(C)C)nc(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl.
What is the InChIKey of N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
The InChIKey is BBMNTMHPDUFYKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl3N3O/c1-21(2,3)26-20(28)19-25-17(12-5-7-13(22)8-6-12)18(27(19)4)15-10-9-14(23)11-16(15)24/h5-11H,1-4H3,(H,26,28).
What are the key properties of N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide?
N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide has a molecular weight of 436.77 g/mol, XLogP of 6.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(4-chlorophenyl)-5-(2,4-dichlorophenyl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 10274740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).