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

C22H14Cl4N4O — CID 10300161

IUPAC2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide
SMILESO=C(NNc1ccc(Cl)cc1Cl)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C22H14Cl4N4O/c23-13-5-8-15(9-6-13)30-12-20(27-21(30)16-3-1-2-4-17(16)25)22(31)29-28-19-10-7-14(24)11-18(19)26/h1-12,28H,(H,29,31)
InChIKeyJUNAMSBYRYGGKP-UHFFFAOYSA-N
MW492.19 g/mol
LogP6.91
Rot. Bonds5

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

2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide (PubChem CID 10300161) has the molecular formula C22H14Cl4N4O and a molecular weight of 492.19 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide
PubChem CID10300161
Molecular FormulaC22H14Cl4N4O
Molecular Weight492.19 g/mol
Exact Mass489.99
IUPAC Name2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide
SMILESO=C(NNc1ccc(Cl)cc1Cl)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1
InChIInChI=1S/C22H14Cl4N4O/c23-13-5-8-15(9-6-13)30-12-20(27-21(30)16-3-1-2-4-17(16)25)22(31)29-28-19-10-7-14(24)11-18(19)26/h1-12,28H,(H,29,31)
InChIKeyJUNAMSBYRYGGKP-UHFFFAOYSA-N
XLogP6.91
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.19
LogP ≤ 56.91
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'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide (CID 10300161) is 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide is O=C(NNc1ccc(Cl)cc1Cl)c1cn(-c2ccc(Cl)cc2)c(-c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide?
The InChIKey is JUNAMSBYRYGGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl4N4O/c23-13-5-8-15(9-6-13)30-12-20(27-21(30)16-3-1-2-4-17(16)25)22(31)29-28-19-10-7-14(24)11-18(19)26/h1-12,28H,(H,29,31).
What are the key properties of 2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide?
2-(2-chlorophenyl)-1-(4-chlorophenyl)-N'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide has a molecular weight of 492.19 g/mol, XLogP of 6.91, 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'-(2,4-dichlorophenyl)imidazole-4-carbohydrazide is sourced from PubChem (CID 10300161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).