1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide

C25H18BrCl2F3N4O — CID 174460680

IUPAC1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide
SMILESCCc1c(C(=O)N(N)c2ccc(C(F)(F)F)cc2Cl)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C25H18BrCl2F3N4O/c1-2-20-22(24(36)35(32)21-12-7-14(13-19(21)28)25(29,30)31)33-23(17-5-3-4-6-18(17)27)34(20)16-10-8-15(26)9-11-16/h3-13H,2,32H2,1H3
InChIKeyZOIPLAZTNNWOFR-UHFFFAOYSA-N
MW598.25 g/mol
LogP7.71
Rot. Bonds5

About 1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide

1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide (PubChem CID 174460680) has the molecular formula C25H18BrCl2F3N4O and a molecular weight of 598.25 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide
PubChem CID174460680
Molecular FormulaC25H18BrCl2F3N4O
Molecular Weight598.25 g/mol
Exact Mass596.00
IUPAC Name1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide
SMILESCCc1c(C(=O)N(N)c2ccc(C(F)(F)F)cc2Cl)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C25H18BrCl2F3N4O/c1-2-20-22(24(36)35(32)21-12-7-14(13-19(21)28)25(29,30)31)33-23(17-5-3-4-6-18(17)27)34(20)16-10-8-15(26)9-11-16/h3-13H,2,32H2,1H3
InChIKeyZOIPLAZTNNWOFR-UHFFFAOYSA-N
XLogP7.71
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.25
LogP ≤ 57.71
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 1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide?
The IUPAC name of 1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide (CID 174460680) is 1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide is CCc1c(C(=O)N(N)c2ccc(C(F)(F)F)cc2Cl)nc(-c2ccccc2Cl)n1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide?
The InChIKey is ZOIPLAZTNNWOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18BrCl2F3N4O/c1-2-20-22(24(36)35(32)21-12-7-14(13-19(21)28)25(29,30)31)33-23(17-5-3-4-6-18(17)27)34(20)16-10-8-15(26)9-11-16/h3-13H,2,32H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide?
1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide has a molecular weight of 598.25 g/mol, XLogP of 7.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-chlorophenyl)-N-[2-chloro-4-(trifluoromethyl)phenyl]-5-ethylimidazole-4-carbohydrazide is sourced from PubChem (CID 174460680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).