N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide

C16H18F3N3O2 — CID 161131324

IUPACN-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide
SMILESO=C(NC1CCOCC1)N1C=CN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)12-2-1-3-14(10-12)21-6-7-22(11-21)15(23)20-13-4-8-24-9-5-13/h1-3,6-7,10,13H,4-5,8-9,11H2,(H,20,23)
InChIKeyUMFOARAIBYQIGO-UHFFFAOYSA-N
MW341.33 g/mol
LogP3.14
Rot. Bonds2

About N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide

N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide (PubChem CID 161131324) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide
PubChem CID161131324
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC NameN-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide
SMILESO=C(NC1CCOCC1)N1C=CN(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C16H18F3N3O2/c17-16(18,19)12-2-1-3-14(10-12)21-6-7-22(11-21)15(23)20-13-4-8-24-9-5-13/h1-3,6-7,10,13H,4-5,8-9,11H2,(H,20,23)
InChIKeyUMFOARAIBYQIGO-UHFFFAOYSA-N
XLogP3.14
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[(4-methoxyphenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide
CID 162207380
N-[(2S)-1-[2-(dimethylamino)ethyl-methylamino]-1-oxopropan-2-yl]-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide
CID 158346619
N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 71886913
[(1S,3R)-3-(oxan-4-ylamino)cyclopentyl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 129171652
N-(cyclopropylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 18124258
N-(4-methylcyclohexyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]acetamide
CID 8547670
(2S)-N-(cyclopentylcarbamoyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 9459953
N-(1,1-dioxothiolan-3-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 113109725
2-amino-2-(oxan-4-yl)-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone;dihydrochloride
CID 120796843
4-(4-cyanophenyl)-2,5-dioxo-N-(oxolan-3-yl)-1-[3-(trifluoromethyl)phenyl]-4,6,7,8-tetrahydroquinazoline-3-carboxamide
CID 146676518
N-cyclopentyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide
CID 6466202
6-methyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]-4-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 56569058

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide?
The IUPAC name of N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide (CID 161131324) is N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide.
What is the SMILES notation for N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide?
The canonical SMILES for N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide is O=C(NC1CCOCC1)N1C=CN(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide?
The InChIKey is UMFOARAIBYQIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c17-16(18,19)12-2-1-3-14(10-12)21-6-7-22(11-21)15(23)20-13-4-8-24-9-5-13/h1-3,6-7,10,13H,4-5,8-9,11H2,(H,20,23).
What are the key properties of N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide?
N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]-2H-imidazole-1-carboxamide is sourced from PubChem (CID 161131324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).