2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride

C23H16Cl3F3N4O — CID 22285617

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride
SMILESCl.O=C(NNc1ccc(C(F)(F)F)cc1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C23H15Cl2F3N4O.ClH/c24-15-7-11-17(12-8-15)32-13-20(29-21(32)18-3-1-2-4-19(18)25)22(33)31-30-16-9-5-14(6-10-16)23(26,27)28;/h1-13,30H,(H,31,33);1H
InChIKeyAAVKKMFWRABLOS-UHFFFAOYSA-N
MW527.76 g/mol
LogP7.04
Rot. Bonds5

About 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride

2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride (PubChem CID 22285617) has the molecular formula C23H16Cl3F3N4O and a molecular weight of 527.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride
PubChem CID22285617
Molecular FormulaC23H16Cl3F3N4O
Molecular Weight527.76 g/mol
Exact Mass526.03
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride
SMILESCl.O=C(NNc1ccc(C(F)(F)F)cc1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C23H15Cl2F3N4O.ClH/c24-15-7-11-17(12-8-15)32-13-20(29-21(32)18-3-1-2-4-19(18)25)22(33)31-30-16-9-5-14(6-10-16)23(26,27)28;/h1-13,30H,(H,31,33);1H
InChIKeyAAVKKMFWRABLOS-UHFFFAOYSA-N
XLogP7.04
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.76
LogP ≤ 57.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-Chlorophenyl)-2-(2-chlorophenyl)-5-ethyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 10114327
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-5-ethyl-1H-imidazole-4-carboxylic acid piperidin-1-ylamide
CID 11408950
2-[(2,6-dichlorophenyl)methyl]-N-[4-(trifluoromethyl)phenyl]-1H-imidazole-5-carboxamide
CID 10001816
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 10297613
1-(5-chloro-2-pyridinyl)-2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-ylimidazole-4-carboxamide
CID 11155520
1-(4-chlorophenyl)-N-cyclohexyl-2-(2,4-dichlorophenyl)-1H-imidazole-4-carboxamide
CID 11247889
2-(2,4-Dichloro-phenyl)-5-methyl-1-(4-trifluoromethyl-phenyl)-1H-imidazole-4-carboxylic acid piperidin-1-ylamide
CID 11271934
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-methyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 11294205
1-(4-Chlorophenyl)-2-(2,4-dichlorophenyl)-5-fluoromethyl-N-(piperidin-1-yl)-1H-imidazole-4-carboxamide
CID 11294616
2-(2,4-Dichloro-phenyl)-1-(4-fluoro-phenyl)-5-methyl-1H-imidazole-4-carboxylic acid piperidin-1-ylamide
CID 11305400
N-cyclohexyl-2-(2,4-dichlorophenyl)-1-(4-fluorophenyl)-1H-imidazole-4-carboxamide
CID 21948995
1-(4-Chloro-phenyl)-2-(2,4-dichloro-phenyl)-1H-imidazole-4-carboxylic acid (hexahydro-cyclopenta[c]pyrrol-2-yl)-amide
CID 21949048

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride (CID 22285617) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride is Cl.O=C(NNc1ccc(C(F)(F)F)cc1)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride?
The InChIKey is AAVKKMFWRABLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2F3N4O.ClH/c24-15-7-11-17(12-8-15)32-13-20(29-21(32)18-3-1-2-4-19(18)25)22(33)31-30-16-9-5-14(6-10-16)23(26,27)28;/h1-13,30H,(H,31,33);1H.
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride has a molecular weight of 527.76 g/mol, XLogP of 7.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride is sourced from PubChem (CID 22285617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).