(6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one

C24H29N3O — CID 154665875

IUPAC(6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one
SMILESCCC(=O)C(C[C@H](Cc1cnc[nH]1)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O/c1-4-23(28)24(19-11-7-5-8-12-19,20-13-9-6-10-14-20)16-22(27(2)3)15-21-17-25-18-26-21/h5-14,17-18,22H,4,15-16H2,1-3H3,(H,25,26)/t22-/m0/s1
InChIKeyIPQCIEATMNGXFD-QFIPXVFZSA-N
MW375.52 g/mol
LogP4.24
Rot. Bonds9

About (6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one

(6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one (PubChem CID 154665875) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is (6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one.

Molecular Properties

Compound Name(6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one
PubChem CID154665875
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name(6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one
SMILESCCC(=O)C(C[C@H](Cc1cnc[nH]1)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29N3O/c1-4-23(28)24(19-11-7-5-8-12-19,20-13-9-6-10-14-20)16-22(27(2)3)15-21-17-25-18-26-21/h5-14,17-18,22H,4,15-16H2,1-3H3,(H,25,26)/t22-/m0/s1
InChIKeyIPQCIEATMNGXFD-QFIPXVFZSA-N
XLogP4.24
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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
5-butan-2-yl-5-ethyl-1,3-diazinane-2,4,6-trione;6-(dimethylamino)-4,4-diphenylheptan-3-one
CID 70561400
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-phenylacetic acid
CID 174909825
6-oxo-5,5-diphenyloctanoic acid
CID 19981505
(6R)-6-(methylamino)-4,4-diphenylheptan-3-one
CID 131842164
6-(dimethylamino)-4,4-diphenylheptan-3-one;1-ethenylimidazole
CID 174979637
2-[fluoro(methyl)amino]-3-(1H-imidazol-5-yl)propanoic acid
CID 88514464
(3R)-3-amino-4-(1H-imidazol-5-yl)-1-phenylbutan-2-one
CID 22803161
(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;bis((2S)-2-amino-3-phenylpropanoic acid);(2S)-2-aminopropanoic acid
CID 18657563
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482

Frequently Asked Questions

What is the IUPAC name of (6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one?
The IUPAC name of (6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one (CID 154665875) is (6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one.
What is the SMILES notation for (6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one?
The canonical SMILES for (6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one is CCC(=O)C(C[C@H](Cc1cnc[nH]1)N(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of (6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one?
The InChIKey is IPQCIEATMNGXFD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29N3O/c1-4-23(28)24(19-11-7-5-8-12-19,20-13-9-6-10-14-20)16-22(27(2)3)15-21-17-25-18-26-21/h5-14,17-18,22H,4,15-16H2,1-3H3,(H,25,26)/t22-/m0/s1.
What are the key properties of (6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one?
(6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one has a molecular weight of 375.52 g/mol, XLogP of 4.24, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-(dimethylamino)-7-(1H-imidazol-5-yl)-4,4-diphenylheptan-3-one is sourced from PubChem (CID 154665875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).