2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide

C15H16F3N3O2 — CID 155954257

IUPAC2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(Cc1nccn1C)C(=O)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O2/c1-20-8-7-19-12(20)9-21(2)14(23)13(22)10-5-3-4-6-11(10)15(16,17)18/h3-8,13,22H,9H2,1-2H3
InChIKeyYAVMARGYIRBSPR-UHFFFAOYSA-N
MW327.31 g/mol
LogP2.13
Rot. Bonds4

About 2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide

2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 155954257) has the molecular formula C15H16F3N3O2 and a molecular weight of 327.31 g/mol. Its IUPAC name is 2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID155954257
Molecular FormulaC15H16F3N3O2
Molecular Weight327.31 g/mol
Exact Mass327.12
IUPAC Name2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide
SMILESCN(Cc1nccn1C)C(=O)C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H16F3N3O2/c1-20-8-7-19-12(20)9-21(2)14(23)13(22)10-5-3-4-6-11(10)15(16,17)18/h3-8,13,22H,9H2,1-2H3
InChIKeyYAVMARGYIRBSPR-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.31
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600
(1S)-1-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]phenyl]ethanol
CID 63371947
2-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylimidazol-2-yl)methyl]pentanamide
CID 107471639
2-amino-3,3,3-trifluoro-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 79805245
3-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 60962958
(2R)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 96561738
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole-3-carboxamide
CID 24792979
(Z)-2,3-dimethyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-4-oxobut-2-enoic acid
CID 63270410
N-[2-methyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46986800
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 104601433
2,3-difluoro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 62662294
3-benzhydryl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1,2-oxazole-5-carboxamide
CID 42169778

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide (CID 155954257) is 2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide is CN(Cc1nccn1C)C(=O)C(O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is YAVMARGYIRBSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3O2/c1-20-8-7-19-12(20)9-21(2)14(23)13(22)10-5-3-4-6-11(10)15(16,17)18/h3-8,13,22H,9H2,1-2H3.
What are the key properties of 2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide?
2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 327.31 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-2-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 155954257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).