5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C25H27F3N4O2 — CID 71466046

IUPAC5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)n1CCCN1CCOCC1
InChIInChI=1S/C25H27F3N4O2/c1-18-22(24(33)29-21-10-5-9-20(17-21)25(26,27)28)30-23(19-7-3-2-4-8-19)32(18)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17H,6,11-16H2,1H3,(H,29,33)
InChIKeyUMWLUXMSHVOKGA-UHFFFAOYSA-N
MW472.51 g/mol
LogP4.85
Rot. Bonds7

About 5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 71466046) has the molecular formula C25H27F3N4O2 and a molecular weight of 472.51 g/mol. Its IUPAC name is 5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID71466046
Molecular FormulaC25H27F3N4O2
Molecular Weight472.51 g/mol
Exact Mass472.21
IUPAC Name5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESCc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)n1CCCN1CCOCC1
InChIInChI=1S/C25H27F3N4O2/c1-18-22(24(33)29-21-10-5-9-20(17-21)25(26,27)28)30-23(19-7-3-2-4-8-19)32(18)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17H,6,11-16H2,1H3,(H,29,33)
InChIKeyUMWLUXMSHVOKGA-UHFFFAOYSA-N
XLogP4.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.51
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 71466046) is 5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nc(-c2ccccc2)n1CCCN1CCOCC1.
What is the InChIKey of 5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is UMWLUXMSHVOKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N4O2/c1-18-22(24(33)29-21-10-5-9-20(17-21)25(26,27)28)30-23(19-7-3-2-4-8-19)32(18)12-6-11-31-13-15-34-16-14-31/h2-5,7-10,17H,6,11-16H2,1H3,(H,29,33).
What are the key properties of 5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 472.51 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(3-morpholin-4-ylpropyl)-2-phenyl-N-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 71466046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).