N-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide

C15H13F6N3O — CID 86625441

IUPACN-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCc1ncn(Cc2ccc(NC(=O)C(F)(F)F)cc2C(F)(F)F)c1C
InChIInChI=1S/C15H13F6N3O/c1-8-9(2)24(7-22-8)6-10-3-4-11(5-12(10)14(16,17)18)23-13(25)15(19,20)21/h3-5,7H,6H2,1-2H3,(H,23,25)
InChIKeyNWLUALCQXNSMNV-UHFFFAOYSA-N
MW365.28 g/mol
LogP4.07
Rot. Bonds3

About N-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide

N-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide (PubChem CID 86625441) has the molecular formula C15H13F6N3O and a molecular weight of 365.28 g/mol. Its IUPAC name is N-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
PubChem CID86625441
Molecular FormulaC15H13F6N3O
Molecular Weight365.28 g/mol
Exact Mass365.10
IUPAC NameN-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
SMILESCc1ncn(Cc2ccc(NC(=O)C(F)(F)F)cc2C(F)(F)F)c1C
InChIInChI=1S/C15H13F6N3O/c1-8-9(2)24(7-22-8)6-10-3-4-11(5-12(10)14(16,17)18)23-13(25)15(19,20)21/h3-5,7H,6H2,1-2H3,(H,23,25)
InChIKeyNWLUALCQXNSMNV-UHFFFAOYSA-N
XLogP4.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.28
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dimethyl-1-[[4-nitro-2-(trifluoromethyl)phenyl]methyl]imidazole
CID 122155968
N-[4-(2-bromoethyl)-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 174762130
N-[3,4-bis(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide
CID 19958570
N-[4-(aminomethyl)-3-(trifluoromethyl)phenyl]-2,2-dimethylbutanamide
CID 65485514
2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide
CID 131964350
1-[4-(6-chloropyrimidin-4-yl)oxyphenyl]-3-[4-[(2-methylpyrrol-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 11386518
2,2,2-trifluoro-N-[4-[(2,2,2-trifluoroacetyl)amino]phenyl]acetamide
CID 5013683
2-[(4,5-dimethylimidazol-1-yl)methyl]-5-fluoroaniline
CID 64768036
1-[4-[1-(2-amino-3-pyridinyl)-3-methylpyrazol-4-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 164776648
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 51297120
N-[4-ethoxy-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 100750932
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide (CID 86625441) is N-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide is Cc1ncn(Cc2ccc(NC(=O)C(F)(F)F)cc2C(F)(F)F)c1C.
What is the InChIKey of N-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
The InChIKey is NWLUALCQXNSMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F6N3O/c1-8-9(2)24(7-22-8)6-10-3-4-11(5-12(10)14(16,17)18)23-13(25)15(19,20)21/h3-5,7H,6H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide?
N-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide has a molecular weight of 365.28 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,5-dimethylimidazol-1-yl)methyl]-3-(trifluoromethyl)phenyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 86625441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).