5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one

C28H26FN5O — CID 90961409

IUPAC5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(NC(c2ccccc2)c2ccccc2)c(-c2ccccc2F)n1CCCn1ccnc1
InChIInChI=1S/C28H26FN5O/c29-24-15-8-7-14-23(24)26-27(32-28(35)34(26)18-9-17-33-19-16-30-20-33)31-25(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-16,19-20,25,31H,9,17-18H2,(H,32,35)
InChIKeyZMIYNFMCXRNOAJ-UHFFFAOYSA-N
MW467.55 g/mol
LogP5.47
Rot. Bonds9

About 5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one

5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (PubChem CID 90961409) has the molecular formula C28H26FN5O and a molecular weight of 467.55 g/mol. Its IUPAC name is 5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
PubChem CID90961409
Molecular FormulaC28H26FN5O
Molecular Weight467.55 g/mol
Exact Mass467.21
IUPAC Name5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(NC(c2ccccc2)c2ccccc2)c(-c2ccccc2F)n1CCCn1ccnc1
InChIInChI=1S/C28H26FN5O/c29-24-15-8-7-14-23(24)26-27(32-28(35)34(26)18-9-17-33-19-16-30-20-33)31-25(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-16,19-20,25,31H,9,17-18H2,(H,32,35)
InChIKeyZMIYNFMCXRNOAJ-UHFFFAOYSA-N
XLogP5.47
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.55
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91019917
5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91352656
5-(benzhydrylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91279356
5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 90896095
4-(3,5-difluorophenyl)-3-(3-imidazol-1-ylpropyl)-5-(2-thiophen-2-ylethylamino)-1H-imidazol-2-one
CID 91501024
4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91334612
6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione
CID 28994143
5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]amino]-3-(3-imidazol-1-ylpropyl)-4-thiophen-3-yl-1H-imidazol-2-one
CID 90691958
3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107104039
5-(2-fluorophenyl)-N-(4-imidazol-1-ylbutyl)-1H-pyrazole-4-carboxamide
CID 75378535
1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802

Frequently Asked Questions

What is the IUPAC name of 5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The IUPAC name of 5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (CID 90961409) is 5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The canonical SMILES for 5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is O=c1[nH]c(NC(c2ccccc2)c2ccccc2)c(-c2ccccc2F)n1CCCn1ccnc1.
What is the InChIKey of 5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The InChIKey is ZMIYNFMCXRNOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN5O/c29-24-15-8-7-14-23(24)26-27(32-28(35)34(26)18-9-17-33-19-16-30-20-33)31-25(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-8,10-16,19-20,25,31H,9,17-18H2,(H,32,35).
What are the key properties of 5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one has a molecular weight of 467.55 g/mol, XLogP of 5.47, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is sourced from PubChem (CID 90961409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).