5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride

C23H15Cl4N5O — CID 174473468

IUPAC5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride
SMILESCl.N#Cc1ccc(-c2c(C(=O)NN)nc(-c3ccccc3Cl)n2-c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C23H14Cl3N5O.ClH/c24-14-6-8-15(9-7-14)31-21(16-10-5-13(12-27)11-19(16)26)20(23(32)30-28)29-22(31)17-3-1-2-4-18(17)25;/h1-11H,28H2,(H,30,32);1H
InChIKeyLJOMKDNDPFMIIP-UHFFFAOYSA-N
MW519.22 g/mol
LogP6.06
Rot. Bonds4

About 5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride

5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride (PubChem CID 174473468) has the molecular formula C23H15Cl4N5O and a molecular weight of 519.22 g/mol. Its IUPAC name is 5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride.

Molecular Properties

Compound Name5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride
PubChem CID174473468
Molecular FormulaC23H15Cl4N5O
Molecular Weight519.22 g/mol
Exact Mass517.00
IUPAC Name5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride
SMILESCl.N#Cc1ccc(-c2c(C(=O)NN)nc(-c3ccccc3Cl)n2-c2ccc(Cl)cc2)c(Cl)c1
InChIInChI=1S/C23H14Cl3N5O.ClH/c24-14-6-8-15(9-7-14)31-21(16-10-5-13(12-27)11-19(16)26)20(23(32)30-28)29-22(31)17-3-1-2-4-18(17)25;/h1-11H,28H2,(H,30,32);1H
InChIKeyLJOMKDNDPFMIIP-UHFFFAOYSA-N
XLogP6.06
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.22
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze 5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride?
The IUPAC name of 5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride (CID 174473468) is 5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride.
What is the SMILES notation for 5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride?
The canonical SMILES for 5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride is Cl.N#Cc1ccc(-c2c(C(=O)NN)nc(-c3ccccc3Cl)n2-c2ccc(Cl)cc2)c(Cl)c1.
What is the InChIKey of 5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride?
The InChIKey is LJOMKDNDPFMIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Cl3N5O.ClH/c24-14-6-8-15(9-7-14)31-21(16-10-5-13(12-27)11-19(16)26)20(23(32)30-28)29-22(31)17-3-1-2-4-18(17)25;/h1-11H,28H2,(H,30,32);1H.
What are the key properties of 5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride?
5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride has a molecular weight of 519.22 g/mol, XLogP of 6.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-cyanophenyl)-2-(2-chlorophenyl)-1-(4-chlorophenyl)imidazole-4-carbohydrazide;hydrochloride is sourced from PubChem (CID 174473468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).