1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one

C20H20N2O — CID 173345810

IUPAC1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one
SMILESO=C(CC(CCc1ccccc1)c1ccccc1)c1cnc[nH]1
InChIInChI=1S/C20H20N2O/c23-20(19-14-21-15-22-19)13-18(17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,14-15,18H,11-13H2,(H,21,22)
InChIKeyDRPCDAUXEIIWBA-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.40
Rot. Bonds7

About 1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one

1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one (PubChem CID 173345810) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one
PubChem CID173345810
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one
SMILESO=C(CC(CCc1ccccc1)c1ccccc1)c1cnc[nH]1
InChIInChI=1S/C20H20N2O/c23-20(19-14-21-15-22-19)13-18(17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,14-15,18H,11-13H2,(H,21,22)
InChIKeyDRPCDAUXEIIWBA-UHFFFAOYSA-N
XLogP4.40
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3,5-diphenylpentanoic acid
CID 821797
N,N-dibenzyl-1H-imidazole-5-carboxamide
CID 141124431
5-(2,3-diphenylpropyl)-1H-imidazole
CID 10491736
(2S)-2-amino-N-(1H-imidazol-5-ylmethyl)-4-phenylbutanamide
CID 104984531
N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124408
3-chloro-1-(1H-imidazol-5-yl)propan-1-one
CID 146026723
N-[(2R)-4-(hydroxyamino)-4-oxo-1-phenylbutan-2-yl]-1H-imidazole-5-carboxamide
CID 141237377
(2R)-2,4-diphenylbutan-1-amine
CID 10998696
3-[1-(4-chlorophenyl)-1-oxo-5-phenylpentan-3-yl]benzoic acid
CID 19926495
ethane;1-(1H-imidazol-5-yl)propan-1-one
CID 145105684
N-(1H-imidazol-5-ylmethyl)-N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 42796385

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one?
The IUPAC name of 1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one (CID 173345810) is 1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one?
The canonical SMILES for 1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one is O=C(CC(CCc1ccccc1)c1ccccc1)c1cnc[nH]1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one?
The InChIKey is DRPCDAUXEIIWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c23-20(19-14-21-15-22-19)13-18(17-9-5-2-6-10-17)12-11-16-7-3-1-4-8-16/h1-10,14-15,18H,11-13H2,(H,21,22).
What are the key properties of 1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one?
1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one has a molecular weight of 304.39 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-3,5-diphenylpentan-1-one is sourced from PubChem (CID 173345810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).