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

C21H18F3N3O — CID 38532650

IUPACN-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(c1ccc(-n2ccnc2)cc1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)17-5-1-15(2-6-17)13-27(19-9-10-19)20(28)16-3-7-18(8-4-16)26-12-11-25-14-26/h1-8,11-12,14,19H,9-10,13H2
InChIKeyBUNHADKGMQXNBW-UHFFFAOYSA-N
MW385.39 g/mol
LogP4.70
Rot. Bonds5

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

N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 38532650) has the molecular formula C21H18F3N3O and a molecular weight of 385.39 g/mol. Its IUPAC name is N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID38532650
Molecular FormulaC21H18F3N3O
Molecular Weight385.39 g/mol
Exact Mass385.14
IUPAC NameN-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(c1ccc(-n2ccnc2)cc1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C21H18F3N3O/c22-21(23,24)17-5-1-15(2-6-17)13-27(19-9-10-19)20(28)16-3-7-18(8-4-16)26-12-11-25-14-26/h1-8,11-12,14,19H,9-10,13H2
InChIKeyBUNHADKGMQXNBW-UHFFFAOYSA-N
XLogP4.70
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide (CID 38532650) is N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(c1ccc(-n2ccnc2)cc1)N(Cc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is BUNHADKGMQXNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3N3O/c22-21(23,24)17-5-1-15(2-6-17)13-27(19-9-10-19)20(28)16-3-7-18(8-4-16)26-12-11-25-14-26/h1-8,11-12,14,19H,9-10,13H2.
What are the key properties of N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide?
N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 385.39 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-imidazol-1-yl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 38532650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).