N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

C18H14F3N3O — CID 100816156

IUPACN-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cn(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)14-7-4-8-15(9-14)24-11-16(23-12-24)17(25)22-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,22,25)
InChIKeyYRIPRKCETMJZFZ-UHFFFAOYSA-N
MW345.32 g/mol
LogP3.82
Rot. Bonds4

About N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide

N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (PubChem CID 100816156) has the molecular formula C18H14F3N3O and a molecular weight of 345.32 g/mol. Its IUPAC name is N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
PubChem CID100816156
Molecular FormulaC18H14F3N3O
Molecular Weight345.32 g/mol
Exact Mass345.11
IUPAC NameN-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
SMILESO=C(NCc1ccccc1)c1cn(-c2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C18H14F3N3O/c19-18(20,21)14-7-4-8-15(9-14)24-11-16(23-12-24)17(25)22-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,22,25)
InChIKeyYRIPRKCETMJZFZ-UHFFFAOYSA-N
XLogP3.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.32
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100819634
N-(benzenesulfonyl)-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 139453020
N-propan-2-yl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 100816389
1-phenyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]imidazole-4-carboxamide
CID 154850034
N-benzyl-1-(4-methylphenyl)imidazole-4-carboxamide
CID 100825109
N-benzyl-5-(trifluoromethyl)-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 25470234
1,5-dimethyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazole-3-carboxamide
CID 35763919
N-phenyl-1-[3-phosphanyl-5-(trifluoromethyl)phenyl]imidazole-4-carboxamide
CID 142342388
1-[2-(trifluoromethyl)phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]triazole-4-carboxamide
CID 112819484
(4-pyrimidin-2-ylpiperazin-1-yl)-[1-[3-(trifluoromethyl)phenyl]imidazol-4-yl]methanone
CID 100816160
N-benzyl-2-[[3-(trifluoromethyl)phenoxy]methyl]-1,3-thiazole-4-carboxamide
CID 46003395
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The IUPAC name of N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide (CID 100816156) is N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide.
What is the SMILES notation for N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The canonical SMILES for N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is O=C(NCc1ccccc1)c1cn(-c2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
The InChIKey is YRIPRKCETMJZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O/c19-18(20,21)14-7-4-8-15(9-14)24-11-16(23-12-24)17(25)22-10-13-5-2-1-3-6-13/h1-9,11-12H,10H2,(H,22,25).
What are the key properties of N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide?
N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide has a molecular weight of 345.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[3-(trifluoromethyl)phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 100816156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).