1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide

C22H20Cl3FN4O — CID 11294616

IUPAC1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide
SMILESO=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CF
InChIInChI=1S/C22H20Cl3FN4O/c23-14-4-7-16(8-5-14)30-19(13-26)20(22(31)28-29-10-2-1-3-11-29)27-21(30)17-9-6-15(24)12-18(17)25/h4-9,12H,1-3,10-11,13H2,(H,28,31)
InChIKeyRYVRPEABVWJUDF-UHFFFAOYSA-N
MW481.79 g/mol
LogP6.10
Rot. Bonds5

About 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide

1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide (PubChem CID 11294616) has the molecular formula C22H20Cl3FN4O and a molecular weight of 481.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide
PubChem CID11294616
Molecular FormulaC22H20Cl3FN4O
Molecular Weight481.79 g/mol
Exact Mass480.07
IUPAC Name1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide
SMILESO=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CF
InChIInChI=1S/C22H20Cl3FN4O/c23-14-4-7-16(8-5-14)30-19(13-26)20(22(31)28-29-10-2-1-3-11-29)27-21(30)17-9-6-15(24)12-18(17)25/h4-9,12H,1-3,10-11,13H2,(H,28,31)
InChIKeyRYVRPEABVWJUDF-UHFFFAOYSA-N
XLogP6.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.79
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide (CID 11294616) is 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide is O=C(NN1CCCCC1)c1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(Cl)cc2)c1CF.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide?
The InChIKey is RYVRPEABVWJUDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl3FN4O/c23-14-4-7-16(8-5-14)30-19(13-26)20(22(31)28-29-10-2-1-3-11-29)27-21(30)17-9-6-15(24)12-18(17)25/h4-9,12H,1-3,10-11,13H2,(H,28,31).
What are the key properties of 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide?
1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide has a molecular weight of 481.79 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-5-(fluoromethyl)-N-piperidin-1-ylimidazole-4-carboxamide is sourced from PubChem (CID 11294616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).