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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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).