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

C22H23N5O2 — CID 90896095

IUPAC5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(NCc2ccccc2)c(-c2ccc(O)cc2)n1CCCn1ccnc1
InChIInChI=1S/C22H23N5O2/c28-19-9-7-18(8-10-19)20-21(24-15-17-5-2-1-3-6-17)25-22(29)27(20)13-4-12-26-14-11-23-16-26/h1-3,5-11,14,16,24,28H,4,12-13,15H2,(H,25,29)
InChIKeyRCXBMNNPEHGUFI-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.45
Rot. Bonds8

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

5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (PubChem CID 90896095) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
PubChem CID90896095
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC Name5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(NCc2ccccc2)c(-c2ccc(O)cc2)n1CCCn1ccnc1
InChIInChI=1S/C22H23N5O2/c28-19-9-7-18(8-10-19)20-21(24-15-17-5-2-1-3-6-17)25-22(29)27(20)13-4-12-26-14-11-23-16-26/h1-3,5-11,14,16,24,28H,4,12-13,15H2,(H,25,29)
InChIKeyRCXBMNNPEHGUFI-UHFFFAOYSA-N
XLogP3.45
TPSA87.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91019917
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
5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91352656
4-(3,5-difluorophenyl)-3-(3-imidazol-1-ylpropyl)-5-(2-thiophen-2-ylethylamino)-1H-imidazol-2-one
CID 91501024
5-(benzhydrylamino)-4-(2-fluorophenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 90961409
4-[3-fluoro-4-(trifluoromethyl)phenyl]-5-hydroxy-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91334612
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
1-(3-imidazol-1-ylpropyl)-4-methyl-5-(4-methylphenyl)pyrrole-2,3-diol
CID 90890564
3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107104039

Frequently Asked Questions

What is the IUPAC name of 5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The IUPAC name of 5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (CID 90896095) is 5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The canonical SMILES for 5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is O=c1[nH]c(NCc2ccccc2)c(-c2ccc(O)cc2)n1CCCn1ccnc1.
What is the InChIKey of 5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The InChIKey is RCXBMNNPEHGUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c28-19-9-7-18(8-10-19)20-21(24-15-17-5-2-1-3-6-17)25-22(29)27(20)13-4-12-26-14-11-23-16-26/h1-3,5-11,14,16,24,28H,4,12-13,15H2,(H,25,29).
What are the key properties of 5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one has a molecular weight of 389.46 g/mol, XLogP of 3.45, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is sourced from PubChem (CID 90896095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).