1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide

C23H17Cl3N4O — CID 163957647

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide
SMILESCN(NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)c1ccccc1
InChIInChI=1S/C23H17Cl3N4O/c1-29(17-5-3-2-4-6-17)28-23(31)21-14-30(18-10-7-15(24)8-11-18)22(27-21)19-12-9-16(25)13-20(19)26/h2-14H,1H3,(H,28,31)
InChIKeySEUHFEHZFHSSSS-UHFFFAOYSA-N
MW471.78 g/mol
LogP6.28
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide (PubChem CID 163957647) has the molecular formula C23H17Cl3N4O and a molecular weight of 471.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide
PubChem CID163957647
Molecular FormulaC23H17Cl3N4O
Molecular Weight471.78 g/mol
Exact Mass470.05
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide
SMILESCN(NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)c1ccccc1
InChIInChI=1S/C23H17Cl3N4O/c1-29(17-5-3-2-4-6-17)28-23(31)21-14-30(18-10-7-15(24)8-11-18)22(27-21)19-12-9-16(25)13-20(19)26/h2-14H,1H3,(H,28,31)
InChIKeySEUHFEHZFHSSSS-UHFFFAOYSA-N
XLogP6.28
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.78
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide
CID 10300161
ethyl 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazole-4-carboxylate
CID 11463589
2-bromo-1-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)imidazol-4-yl]ethanone
CID 86592993
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-ethylsulfonylimidazole-4-carboxamide
CID 155116204
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-(4-fluorophenyl)sulfonylimidazole-4-carboximidamide
CID 11432444
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride
CID 22285617
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)-N-morpholin-4-ylimidazole-4-carboxamide
CID 22285405
N-[1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methylimidazol-4-yl]benzamide
CID 11583370
1-(4-chlorophenyl)-2-(4-methylphenyl)imidazole-4-carboxylic acid
CID 94946709
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]imidazole-4-carboxamide
CID 23398430
1-(4-chlorophenyl)-2-(3-methoxyphenyl)imidazole-4-carboxylic acid
CID 82212317
2-(2,5-dichlorophenyl)-N-ethyl-1-phenyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 69324124

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide (CID 163957647) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide is CN(NC(=O)c1cn(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1)c1ccccc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide?
The InChIKey is SEUHFEHZFHSSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl3N4O/c1-29(17-5-3-2-4-6-17)28-23(31)21-14-30(18-10-7-15(24)8-11-18)22(27-21)19-12-9-16(25)13-20(19)26/h2-14H,1H3,(H,28,31).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide has a molecular weight of 471.78 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N'-methyl-N'-phenylimidazole-4-carbohydrazide is sourced from PubChem (CID 163957647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).