N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide

C13H12F3N3O — CID 81257990

IUPACN-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
SMILESO=C(N(Cc1ccccc1)CC(F)(F)F)n1ccnc1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-19(8-11-4-2-1-3-5-11)12(20)18-7-6-17-10-18/h1-7,10H,8-9H2
InChIKeyTYZCTQWFHOAYNH-UHFFFAOYSA-N
MW283.25 g/mol
LogP2.92
Rot. Bonds3

About N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide

N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide (PubChem CID 81257990) has the molecular formula C13H12F3N3O and a molecular weight of 283.25 g/mol. Its IUPAC name is N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
PubChem CID81257990
Molecular FormulaC13H12F3N3O
Molecular Weight283.25 g/mol
Exact Mass283.09
IUPAC NameN-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide
SMILESO=C(N(Cc1ccccc1)CC(F)(F)F)n1ccnc1
InChIInChI=1S/C13H12F3N3O/c14-13(15,16)9-19(8-11-4-2-1-3-5-11)12(20)18-7-6-17-10-18/h1-7,10H,8-9H2
InChIKeyTYZCTQWFHOAYNH-UHFFFAOYSA-N
XLogP2.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-N-[2-(dimethylamino)ethyl]imidazole-1-carboxamide
CID 81257866
methyl 2-[benzyl(imidazole-1-carbonyl)amino]acetate
CID 81257262
2-amino-N-benzyl-2-ethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 79814224
2-amino-N-benzyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 60938216
4-amino-N-benzyl-3-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 81075244
N-benzyl-2-chloro-N-(2,2,2-trifluoroethyl)furan-3-carboxamide
CID 106686196
2-phenylethyl imidazole-1-carboxylate
CID 15371420
1-(3-phenylprop-1-en-2-yl)imidazole
CID 22115010
di(imidazol-1-yl)methanone;(2R)-4,4,4-trifluoro-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 161027435
2-(1H-benzimidazol-2-ylsulfanyl)-N-benzyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18194956
N-(2-methyl-4-phenylbutan-2-yl)imidazole-1-carboxamide
CID 113472607
2-fluoro-1-imidazol-1-yl-2-methylpropan-1-one
CID 146826103

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The IUPAC name of N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide (CID 81257990) is N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide.
What is the SMILES notation for N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The canonical SMILES for N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide is O=C(N(Cc1ccccc1)CC(F)(F)F)n1ccnc1.
What is the InChIKey of N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
The InChIKey is TYZCTQWFHOAYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3O/c14-13(15,16)9-19(8-11-4-2-1-3-5-11)12(20)18-7-6-17-10-18/h1-7,10H,8-9H2.
What are the key properties of N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide?
N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide has a molecular weight of 283.25 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(2,2,2-trifluoroethyl)imidazole-1-carboxamide is sourced from PubChem (CID 81257990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).