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

C23H22F3N3O — CID 42820527

IUPACN-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2nccn2Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C23H22F3N3O/c1-16-2-6-18(7-3-16)22(30)29(20-10-11-20)15-21-27-12-13-28(21)14-17-4-8-19(9-5-17)23(24,25)26/h2-9,12-13,20H,10-11,14-15H2,1H3
InChIKeyIHWBAXFQUHIUIX-UHFFFAOYSA-N
MW413.44 g/mol
LogP5.06
Rot. Bonds6

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

N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide (PubChem CID 42820527) has the molecular formula C23H22F3N3O and a molecular weight of 413.44 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
PubChem CID42820527
Molecular FormulaC23H22F3N3O
Molecular Weight413.44 g/mol
Exact Mass413.17
IUPAC NameN-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
SMILESCc1ccc(C(=O)N(Cc2nccn2Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1
InChIInChI=1S/C23H22F3N3O/c1-16-2-6-18(7-3-16)22(30)29(20-10-11-20)15-21-27-12-13-28(21)14-17-4-8-19(9-5-17)23(24,25)26/h2-9,12-13,20H,10-11,14-15H2,1H3
InChIKeyIHWBAXFQUHIUIX-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-[[2-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42820580
N-ethyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
CID 42820525
N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
CID 42820515
N-cyclopropyl-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]thiophene-2-carboxamide
CID 42819347
N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819855
N-cyclopropyl-4-methyl-N-(pyridin-4-ylmethyl)benzamide
CID 47011273
N-(2-methoxyethyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclobutanecarboxamide
CID 46140653
N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 38532650
N-cyclopropyl-1-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 78851238
4-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819882
4-methyl-N-[[1-[(4-methylphenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819996
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 55589101

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide (CID 42820527) is N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide is Cc1ccc(C(=O)N(Cc2nccn2Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1.
What is the InChIKey of N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
The InChIKey is IHWBAXFQUHIUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O/c1-16-2-6-18(7-3-16)22(30)29(20-10-11-20)15-21-27-12-13-28(21)14-17-4-8-19(9-5-17)23(24,25)26/h2-9,12-13,20H,10-11,14-15H2,1H3.
What are the key properties of N-cyclopropyl-4-methyl-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide?
N-cyclopropyl-4-methyl-N-[[1-[[4-(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-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 42820527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).