6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole

C26H33N3O — CID 174979637

IUPAC6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole
SMILESC=Cn1ccnc1.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO.C5H6N2/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2-7-4-3-6-5-7/h6-15,17H,5,16H2,1-4H3;2-5H,1H2
InChIKeyIQPXTURVCBBNOT-UHFFFAOYSA-N
MW403.57 g/mol
LogP5.28
Rot. Bonds8

About 6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole

6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole (PubChem CID 174979637) has the molecular formula C26H33N3O and a molecular weight of 403.57 g/mol. Its IUPAC name is 6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole.

Molecular Properties

Compound Name6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole
PubChem CID174979637
Molecular FormulaC26H33N3O
Molecular Weight403.57 g/mol
Exact Mass403.26
IUPAC Name6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole
SMILESC=Cn1ccnc1.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO.C5H6N2/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2-7-4-3-6-5-7/h6-15,17H,5,16H2,1-4H3;2-5H,1H2
InChIKeyIQPXTURVCBBNOT-UHFFFAOYSA-N
XLogP5.28
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.57
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(dimethylamino)-4,4-diphenylheptan-3-one;hydroiodide
CID 171389978
6-(dimethylamino)-4,4-diphenylheptan-3-one;ethane
CID 144673539
6-(dimethylamino)-4,4-diphenylheptan-3-one;2-methylprop-2-enoic acid;hydrochloride
CID 122684376
(4R)-4-(dimethylamino)-2,2-diphenylpentanamide
CID 51382597
(7S)-7-(dimethylamino)-5,5-diphenyloct-1-yn-4-one
CID 154665818
(4S,6R)-6-(dimethylamino)-4-phenyl-4-(2,3,6-trifluorophenyl)heptan-3-one
CID 164732602
(E)-6-(dimethylamino)-3-ethyl-4,4-diphenylhept-2-enoic acid
CID 70524409
2-[2-(2,6-dichloroanilino)phenyl]acetic acid;6-(dimethylamino)-4,4-diphenylheptan-3-one
CID 11628651
5-butan-2-yl-5-ethyl-1,3-diazinane-2,4,6-trione;6-(dimethylamino)-4,4-diphenylheptan-3-one
CID 70561400
(3R)-3-(dimethylamino)-6-oxo-5,5-diphenyloctanoic acid
CID 154665813
(4R)-4-(dimethylamino)-7-oxo-6,6-diphenylnonanoic acid
CID 164732652
[(2E,4Z)-hexa-2,4-dien-3-yl]oxy-N-methyl-N-(5-oxo-4,4-diphenylheptan-2-yl)phosphonamidic acid
CID 143187382

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole?
The IUPAC name of 6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole (CID 174979637) is 6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole.
What is the SMILES notation for 6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole?
The canonical SMILES for 6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole is C=Cn1ccnc1.CCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole?
The InChIKey is IQPXTURVCBBNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO.C5H6N2/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2-7-4-3-6-5-7/h6-15,17H,5,16H2,1-4H3;2-5H,1H2.
What are the key properties of 6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole?
6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole has a molecular weight of 403.57 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole is sourced from PubChem (CID 174979637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).