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

C28H27N5O2 — CID 91019917

IUPAC5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(NC(c2ccccc2)c2ccccc2)c(-c2ccc(O)cc2)n1CCCn1ccnc1
InChIInChI=1S/C28H27N5O2/c34-24-14-12-23(13-15-24)26-27(31-28(35)33(26)18-7-17-32-19-16-29-20-32)30-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-16,19-20,25,30,34H,7,17-18H2,(H,31,35)
InChIKeyGKKWDGNTZWFWKT-UHFFFAOYSA-N
MW465.56 g/mol
LogP5.04
Rot. Bonds9

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

5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (PubChem CID 91019917) has the molecular formula C28H27N5O2 and a molecular weight of 465.56 g/mol. Its IUPAC name is 5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
PubChem CID91019917
Molecular FormulaC28H27N5O2
Molecular Weight465.56 g/mol
Exact Mass465.22
IUPAC Name5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(NC(c2ccccc2)c2ccccc2)c(-c2ccc(O)cc2)n1CCCn1ccnc1
InChIInChI=1S/C28H27N5O2/c34-24-14-12-23(13-15-24)26-27(31-28(35)33(26)18-7-17-32-19-16-29-20-32)30-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-16,19-20,25,30,34H,7,17-18H2,(H,31,35)
InChIKeyGKKWDGNTZWFWKT-UHFFFAOYSA-N
XLogP5.04
TPSA87.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.56
LogP ≤ 55.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 90896095
5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91352656
5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 90961409
5-(benzhydrylamino)-4-(3,4-dihydro-2H-pyran-2-yl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91279356
4-(4-hydroxyphenyl)-1-(3-imidazol-1-ylpropyl)-5-phenylpyrrole-2,3-diol
CID 91465452
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
4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91334612
4-(3,5-difluorophenyl)-3-(3-imidazol-1-ylpropyl)-5-(2-thiophen-2-ylethylamino)-1H-imidazol-2-one
CID 91501024
1-(3-imidazol-1-ylpropyl)-4-phenyl-5-pyridin-4-ylpyrrole-2,3-diol
CID 136641839
1-(3-imidazol-1-ylpropyl)-4-pentyl-5-phenylpyrrole-2,3-diol
CID 91392022
6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione
CID 28994143
5-(1H-imidazol-2-yl)-1-(3-imidazol-1-ylpropyl)-4-phenylpyrrole-2,3-diol
CID 136659472

Frequently Asked Questions

What is the IUPAC name of 5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The IUPAC name of 5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (CID 91019917) is 5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The canonical SMILES for 5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is O=c1[nH]c(NC(c2ccccc2)c2ccccc2)c(-c2ccc(O)cc2)n1CCCn1ccnc1.
What is the InChIKey of 5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The InChIKey is GKKWDGNTZWFWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O2/c34-24-14-12-23(13-15-24)26-27(31-28(35)33(26)18-7-17-32-19-16-29-20-32)30-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-6,8-16,19-20,25,30,34H,7,17-18H2,(H,31,35).
What are the key properties of 5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one has a molecular weight of 465.56 g/mol, XLogP of 5.04, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is sourced from PubChem (CID 91019917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).