N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide

C23H22F3N3O — CID 42820580

IUPACN-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2nccn2Cc2ccccc2C(F)(F)F)C2CC2)cc1
InChIInChI=1S/C23H22F3N3O/c1-16-6-8-17(9-7-16)22(30)29(19-10-11-19)15-21-27-12-13-28(21)14-18-4-2-3-5-20(18)23(24,25)26/h2-9,12-13,19H,10-11,14-15H2,1H3
InChIKeyRUZSIIVKPCTVII-UHFFFAOYSA-N
MW413.44 g/mol
LogP5.06
Rot. Bonds6

About N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide

N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide (PubChem CID 42820580) has the molecular formula C23H22F3N3O and a molecular weight of 413.44 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
PubChem CID42820580
Molecular FormulaC23H22F3N3O
Molecular Weight413.44 g/mol
Exact Mass413.17
IUPAC NameN-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2nccn2Cc2ccccc2C(F)(F)F)C2CC2)cc1
InChIInChI=1S/C23H22F3N3O/c1-16-6-8-17(9-7-16)22(30)29(19-10-11-19)15-21-27-12-13-28(21)14-18-4-2-3-5-20(18)23(24,25)26/h2-9,12-13,19H,10-11,14-15H2,1H3
InChIKeyRUZSIIVKPCTVII-UHFFFAOYSA-N
XLogP5.06
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.44
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820527
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide
CID 42819347
N-cyclopropyl-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]-2H-triazole-4-carboxamide
CID 126768034
N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819855
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55589101
N-cyclopropyl-N-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylbenzamide
CID 90569852
N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
CID 38270812
N-cyclopropyl-6-fluoro-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 63977624
N-methyl-4-(pyrazol-1-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047303
N-[[1-[(2,5-dimethylphenyl)methyl]imidazol-2-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 42819298
N-cyclopropyl-1-methyl-2-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-3H-benzimidazole-5-carboxamide
CID 71885632

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide (CID 42820580) is N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide is Cc1ccc(C(=O)N(Cc2nccn2Cc2ccccc2C(F)(F)F)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
The InChIKey is RUZSIIVKPCTVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O/c1-16-6-8-17(9-7-16)22(30)29(19-10-11-19)15-21-27-12-13-28(21)14-18-4-2-3-5-20(18)23(24,25)26/h2-9,12-13,19H,10-11,14-15H2,1H3.
What are the key properties of N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide has a molecular weight of 413.44 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-N-[[1-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 42820580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).