5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide

C23H19Cl3FN3O — CID 10140562

IUPAC5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2CC=C(F)CC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccccc1Cl
InChIInChI=1S/C23H19Cl3FN3O/c1-30-21(17-4-2-3-5-18(17)25)20(16-11-6-13(24)12-19(16)26)29-22(30)23(31)28-15-9-7-14(27)8-10-15/h2-7,11-12,15H,8-10H2,1H3,(H,28,31)
InChIKeyDCFRJLIQPPQVHL-UHFFFAOYSA-N
MW478.78 g/mol
LogP6.85
Rot. Bonds4

About 5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide

5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide (PubChem CID 10140562) has the molecular formula C23H19Cl3FN3O and a molecular weight of 478.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide
PubChem CID10140562
Molecular FormulaC23H19Cl3FN3O
Molecular Weight478.78 g/mol
Exact Mass477.06
IUPAC Name5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide
SMILESCn1c(C(=O)NC2CC=C(F)CC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccccc1Cl
InChIInChI=1S/C23H19Cl3FN3O/c1-30-21(17-4-2-3-5-18(17)25)20(16-11-6-13(24)12-19(16)26)29-22(30)23(31)28-15-9-7-14(27)8-10-15/h2-7,11-12,15H,8-10H2,1H3,(H,28,31)
InChIKeyDCFRJLIQPPQVHL-UHFFFAOYSA-N
XLogP6.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.78
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide (CID 10140562) is 5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide is Cn1c(C(=O)NC2CC=C(F)CC2)nc(-c2ccc(Cl)cc2Cl)c1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide?
The InChIKey is DCFRJLIQPPQVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19Cl3FN3O/c1-30-21(17-4-2-3-5-18(17)25)20(16-11-6-13(24)12-19(16)26)29-22(30)23(31)28-15-9-7-14(27)8-10-15/h2-7,11-12,15H,8-10H2,1H3,(H,28,31).
What are the key properties of 5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide?
5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide has a molecular weight of 478.78 g/mol, XLogP of 6.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-4-(2,4-dichlorophenyl)-N-(4-fluorocyclohex-3-en-1-yl)-1-methylimidazole-2-carboxamide is sourced from PubChem (CID 10140562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).