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

C23H16Cl2F4N4O — CID 174473566

IUPAC2-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride
SMILESCl.NN(C(=O)c1cn(-c2ccc(F)cc2)c(-c2ccccc2Cl)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H15ClF4N4O.ClH/c24-19-4-2-1-3-18(19)21-30-20(13-31(21)16-11-7-15(25)8-12-16)22(33)32(29)17-9-5-14(6-10-17)23(26,27)28;/h1-13H,29H2;1H
InChIKeyCIISSSZNZXLBJM-UHFFFAOYSA-N
MW511.31 g/mol
LogP6.29
Rot. Bonds4

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

2-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride (PubChem CID 174473566) has the molecular formula C23H16Cl2F4N4O and a molecular weight of 511.31 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride
PubChem CID174473566
Molecular FormulaC23H16Cl2F4N4O
Molecular Weight511.31 g/mol
Exact Mass510.06
IUPAC Name2-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride
SMILESCl.NN(C(=O)c1cn(-c2ccc(F)cc2)c(-c2ccccc2Cl)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H15ClF4N4O.ClH/c24-19-4-2-1-3-18(19)21-30-20(13-31(21)16-11-7-15(25)8-12-16)22(33)32(29)17-9-5-14(6-10-17)23(26,27)28;/h1-13H,29H2;1H
InChIKeyCIISSSZNZXLBJM-UHFFFAOYSA-N
XLogP6.29
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.31
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'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-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride (CID 174473566) is 2-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride is Cl.NN(C(=O)c1cn(-c2ccc(F)cc2)c(-c2ccccc2Cl)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride?
The InChIKey is CIISSSZNZXLBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15ClF4N4O.ClH/c24-19-4-2-1-3-18(19)21-30-20(13-31(21)16-11-7-15(25)8-12-16)22(33)32(29)17-9-5-14(6-10-17)23(26,27)28;/h1-13H,29H2;1H.
What are the key properties of 2-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride?
2-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride has a molecular weight of 511.31 g/mol, XLogP of 6.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]imidazole-4-carbohydrazide;hydrochloride is sourced from PubChem (CID 174473566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).