N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide

C20H24F3N3O — CID 42820515

IUPACN-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)CN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)C1CC1
InChIInChI=1S/C20H24F3N3O/c1-14(2)11-26(19(27)16-5-6-16)13-18-24-9-10-25(18)12-15-3-7-17(8-4-15)20(21,22)23/h3-4,7-10,14,16H,5-6,11-13H2,1-2H3
InChIKeyLRKWDSXAORQDIX-UHFFFAOYSA-N
MW379.43 g/mol
LogP4.34
Rot. Bonds7

About N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide

N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide (PubChem CID 42820515) has the molecular formula C20H24F3N3O and a molecular weight of 379.43 g/mol. Its IUPAC name is N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
PubChem CID42820515
Molecular FormulaC20H24F3N3O
Molecular Weight379.43 g/mol
Exact Mass379.19
IUPAC NameN-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide
SMILESCC(C)CN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)C1CC1
InChIInChI=1S/C20H24F3N3O/c1-14(2)11-26(19(27)16-5-6-16)13-18-24-9-10-25(18)12-15-3-7-17(8-4-15)20(21,22)23/h3-4,7-10,14,16H,5-6,11-13H2,1-2H3
InChIKeyLRKWDSXAORQDIX-UHFFFAOYSA-N
XLogP4.34
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide (CID 42820515) is N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide is CC(C)CN(Cc1nccn1Cc1ccc(C(F)(F)F)cc1)C(=O)C1CC1.
What is the InChIKey of N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide?
The InChIKey is LRKWDSXAORQDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F3N3O/c1-14(2)11-26(19(27)16-5-6-16)13-18-24-9-10-25(18)12-15-3-7-17(8-4-15)20(21,22)23/h3-4,7-10,14,16H,5-6,11-13H2,1-2H3.
What are the key properties of N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide?
N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide has a molecular weight of 379.43 g/mol, XLogP of 4.34, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-N-[[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 42820515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).