6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride

C16H21ClN2O — CID 3059519

IUPAC6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride
SMILESCC(C)C1N=C2CCC(c3ccccc3)CN2C1=O.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-11(2)15-16(19)18-10-13(8-9-14(18)17-15)12-6-4-3-5-7-12;/h3-7,11,13,15H,8-10H2,1-2H3;1H
InChIKeyRBFVPIKIOGRNHT-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.25
Rot. Bonds2

About 6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride

6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride (PubChem CID 3059519) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride.

Molecular Properties

Compound Name6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride
PubChem CID3059519
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride
SMILESCC(C)C1N=C2CCC(c3ccccc3)CN2C1=O.Cl
InChIInChI=1S/C16H20N2O.ClH/c1-11(2)15-16(19)18-10-13(8-9-14(18)17-15)12-6-4-3-5-7-12;/h3-7,11,13,15H,8-10H2,1-2H3;1H
InChIKeyRBFVPIKIOGRNHT-UHFFFAOYSA-N
XLogP3.25
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride with MolForge

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Related Compounds

Rofelodine
CID 71152
2-benzyl-9-(2-ethylhexyl)-4,5-dihydro-1H-purin-6-one
CID 155512334
3H-Pyrrolo(1,2-a)imidazol-3-one, 2,5,6,7-tetrahydro-2-methyl-6-phenyl-
CID 3059511
3H-Pyrrolo(1,2-a)imidazol-3-one, 2,5,6,7-tetrahydro-2-(1-methylethyl)-6-phenyl-
CID 3059512
3H-Pyrrolo(1,2-a)imidazol-3-one, 2,5,6,7-tetrahydro-6-phenyl-2-(phenylmethyl)-
CID 3059514
Imidazo(1,2-a)pyridine-2-carboxylic acid, 2,3,5,6,7,8-hexahydro-3-oxo-6-phenyl-, ethyl ester,monohydrochloride
CID 3059521
Imidazo(1,2-a)pyridine-2-propanoic acid, 2,3,5,6,7,8-hexahydro-3-oxo-6-phenyl-, ethyl ester, monohydrochloride
CID 3059523
2-Methyl-8-(2-phenylpropyl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 46991605
4-benzyl-1-cyclohexyl-2-(4-methylpiperidin-1-yl)-4H-imidazol-5-one
CID 45106816
1-[4-(3-Methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazino]-3-phenyl-1-propanone
CID 53184164
1-[4-(3-Methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazino]-2-(3-methylphenyl)-1-ethanone
CID 53184169
1-[4-(2-Methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazino]-3-phenyl-1-propanone
CID 53184184

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride?
The IUPAC name of 6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride (CID 3059519) is 6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride.
What is the SMILES notation for 6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride?
The canonical SMILES for 6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride is CC(C)C1N=C2CCC(c3ccccc3)CN2C1=O.Cl.
What is the InChIKey of 6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride?
The InChIKey is RBFVPIKIOGRNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O.ClH/c1-11(2)15-16(19)18-10-13(8-9-14(18)17-15)12-6-4-3-5-7-12;/h3-7,11,13,15H,8-10H2,1-2H3;1H.
What are the key properties of 6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride?
6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-propan-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-3-one;hydrochloride is sourced from PubChem (CID 3059519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).