2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C23H21Cl2F3N4O — CID 11271934

IUPAC2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H21Cl2F3N4O/c1-14-20(22(33)30-31-11-3-2-4-12-31)29-21(18-10-7-16(24)13-19(18)25)32(14)17-8-5-15(6-9-17)23(26,27)28/h5-10,13H,2-4,11-12H2,1H3,(H,30,33)
InChIKeyLXHJQKRDYPVDAL-UHFFFAOYSA-N
MW497.35 g/mol
LogP6.30
Rot. Bonds4

About 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide

2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 11271934) has the molecular formula C23H21Cl2F3N4O and a molecular weight of 497.35 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID11271934
Molecular FormulaC23H21Cl2F3N4O
Molecular Weight497.35 g/mol
Exact Mass496.10
IUPAC Name2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H21Cl2F3N4O/c1-14-20(22(33)30-31-11-3-2-4-12-31)29-21(18-10-7-16(24)13-19(18)25)32(14)17-8-5-15(6-9-17)23(26,27)28/h5-10,13H,2-4,11-12H2,1H3,(H,30,33)
InChIKeyLXHJQKRDYPVDAL-UHFFFAOYSA-N
XLogP6.30
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.35
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 11271934) is 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide is Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is LXHJQKRDYPVDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2F3N4O/c1-14-20(22(33)30-31-11-3-2-4-12-31)29-21(18-10-7-16(24)13-19(18)25)32(14)17-8-5-15(6-9-17)23(26,27)28/h5-10,13H,2-4,11-12H2,1H3,(H,30,33).
What are the key properties of 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 497.35 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-methyl-N-piperidin-1-yl-1-[4-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 11271934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).