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

C23H25N5O2 — CID 91352656

IUPAC5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(NC(c2ccccc2)c2ccccc2)c(CO)n1CCCn1ccnc1
InChIInChI=1S/C23H25N5O2/c29-16-20-22(26-23(30)28(20)14-7-13-27-15-12-24-17-27)25-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-12,15,17,21,25,29H,7,13-14,16H2,(H,26,30)
InChIKeyQFPRMFRSQSLYTI-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.16
Rot. Bonds9

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

5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (PubChem CID 91352656) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
PubChem CID91352656
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
SMILESO=c1[nH]c(NC(c2ccccc2)c2ccccc2)c(CO)n1CCCn1ccnc1
InChIInChI=1S/C23H25N5O2/c29-16-20-22(26-23(30)28(20)14-7-13-27-15-12-24-17-27)25-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-12,15,17,21,25,29H,7,13-14,16H2,(H,26,30)
InChIKeyQFPRMFRSQSLYTI-UHFFFAOYSA-N
XLogP3.16
TPSA87.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(benzhydrylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 91019917
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
5-(benzylamino)-4-(4-hydroxyphenyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one
CID 90896095
6-amino-1-(3-imidazol-1-ylpropyl)pyrimidine-2,4-dione
CID 28994143
3-(3-imidazol-1-ylpropyl)-1H-pyrimidine-2,4-dione
CID 107104039
2-chloro-N-(3-imidazol-1-ylpropyl)-2-phenylacetamide
CID 43243129
6-amino-3-(3-imidazol-1-ylpropyl)-1H-benzimidazol-2-one
CID 110491439
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
2-benzhydryl-5-benzyl-N-cyclohexyl-3-(3-imidazol-1-ylpropyl)imidazole-4-carboxamide
CID 100940756
2-benzyl-6-imidazol-1-ylhexanoic acid
CID 70440938
1-(3-imidazol-1-ylpropyl)-5-methyl-4-phenylpyrrole-2,3-diol
CID 91509535

Frequently Asked Questions

What is the IUPAC name of 5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The IUPAC name of 5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one (CID 91352656) is 5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The canonical SMILES for 5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is O=c1[nH]c(NC(c2ccccc2)c2ccccc2)c(CO)n1CCCn1ccnc1.
What is the InChIKey of 5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
The InChIKey is QFPRMFRSQSLYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c29-16-20-22(26-23(30)28(20)14-7-13-27-15-12-24-17-27)25-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-12,15,17,21,25,29H,7,13-14,16H2,(H,26,30).
What are the key properties of 5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one?
5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one has a molecular weight of 403.49 g/mol, XLogP of 3.16, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzhydrylamino)-4-(hydroxymethyl)-3-(3-imidazol-1-ylpropyl)-1H-imidazol-2-one is sourced from PubChem (CID 91352656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).