N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide

C16H19Cl2N3O — CID 67933898

IUPACN-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide
SMILESCCC(CC)c1ncc(C(=O)Nc2ccc(Cl)cc2Cl)n1C
InChIInChI=1S/C16H19Cl2N3O/c1-4-10(5-2)15-19-9-14(21(15)3)16(22)20-13-7-6-11(17)8-12(13)18/h6-10H,4-5H2,1-3H3,(H,20,22)
InChIKeyNEXXTOCULLXLJY-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.88
Rot. Bonds5

About N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide

N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide (PubChem CID 67933898) has the molecular formula C16H19Cl2N3O and a molecular weight of 340.25 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide
PubChem CID67933898
Molecular FormulaC16H19Cl2N3O
Molecular Weight340.25 g/mol
Exact Mass339.09
IUPAC NameN-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide
SMILESCCC(CC)c1ncc(C(=O)Nc2ccc(Cl)cc2Cl)n1C
InChIInChI=1S/C16H19Cl2N3O/c1-4-10(5-2)15-19-9-14(21(15)3)16(22)20-13-7-6-11(17)8-12(13)18/h6-10H,4-5H2,1-3H3,(H,20,22)
InChIKeyNEXXTOCULLXLJY-UHFFFAOYSA-N
XLogP4.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(2,4-dichlorophenyl)-1-propan-2-ylpyrrole-2-carboxamide
CID 43642744
N-(2,4-dichlorophenyl)-3-propan-2-ylimidazole-4-carboxamide
CID 23162526
4-[(2,4-dichlorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496071
N-(2,4-dichlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194822
N-(2,4-dichlorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285316
N-(2,4-dichlorophenyl)propanamide
CID 923083
2-N,5-N-bis(2,4-dichlorophenyl)thiophene-2,5-dicarboxamide
CID 2329395
N'-butan-2-yl-N-(2,4-dichlorophenyl)oxamide
CID 108502714
N-(2,4-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278402
N-(2,4-dichlorophenyl)imidazo[2,1-b][1,3]thiazole-3-carboxamide
CID 110864082
N'-butan-2-yl-N-(2,4-dichlorophenyl)propanediamide
CID 108941910
N-(2,4-dichlorophenyl)-4-(5-pentyl-2-pyridinyl)benzamide
CID 11304509

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide (CID 67933898) is N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide is CCC(CC)c1ncc(C(=O)Nc2ccc(Cl)cc2Cl)n1C.
What is the InChIKey of N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide?
The InChIKey is NEXXTOCULLXLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O/c1-4-10(5-2)15-19-9-14(21(15)3)16(22)20-13-7-6-11(17)8-12(13)18/h6-10H,4-5H2,1-3H3,(H,20,22).
What are the key properties of N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide?
N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-3-methyl-2-pentan-3-ylimidazole-4-carboxamide is sourced from PubChem (CID 67933898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).