1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide

C21H19ClF3N5O — CID 175373011

IUPAC1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide
SMILESO=C(NN1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C21H19ClF3N5O/c22-14-4-6-15(7-5-14)30-13-18(20(31)28-29-10-2-1-3-11-29)27-19(30)16-12-26-9-8-17(16)21(23,24)25/h4-9,12-13H,1-3,10-11H2,(H,28,31)
InChIKeyJACJVIAOUXEIRN-UHFFFAOYSA-N
MW449.86 g/mol
LogP4.74
Rot. Bonds4

About 1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide

1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide (PubChem CID 175373011) has the molecular formula C21H19ClF3N5O and a molecular weight of 449.86 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide
PubChem CID175373011
Molecular FormulaC21H19ClF3N5O
Molecular Weight449.86 g/mol
Exact Mass449.12
IUPAC Name1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide
SMILESO=C(NN1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2cnccc2C(F)(F)F)n1
InChIInChI=1S/C21H19ClF3N5O/c22-14-4-6-15(7-5-14)30-13-18(20(31)28-29-10-2-1-3-11-29)27-19(30)16-12-26-9-8-17(16)21(23,24)25/h4-9,12-13H,1-3,10-11H2,(H,28,31)
InChIKeyJACJVIAOUXEIRN-UHFFFAOYSA-N
XLogP4.74
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.86
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide (CID 175373011) is 1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide is O=C(NN1CCCCC1)c1cn(-c2ccc(Cl)cc2)c(-c2cnccc2C(F)(F)F)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide?
The InChIKey is JACJVIAOUXEIRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClF3N5O/c22-14-4-6-15(7-5-14)30-13-18(20(31)28-29-10-2-1-3-11-29)27-19(30)16-12-26-9-8-17(16)21(23,24)25/h4-9,12-13H,1-3,10-11H2,(H,28,31).
What are the key properties of 1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide?
1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide has a molecular weight of 449.86 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-piperidin-1-yl-2-[4-(trifluoromethyl)-3-pyridinyl]imidazole-4-carboxamide is sourced from PubChem (CID 175373011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).