10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one

C17H18N2O — CID 10539704

IUPAC10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one
SMILESO=c1c2c(c(-c3ccccc3)c3n1CCN3)CCCC2
InChIInChI=1S/C17H18N2O/c20-17-14-9-5-4-8-13(14)15(12-6-2-1-3-7-12)16-18-10-11-19(16)17/h1-3,6-7,18H,4-5,8-11H2
InChIKeyYRCGBCNRJVRXPU-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.82
Rot. Bonds1

About 10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one

10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one (PubChem CID 10539704) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is 10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one.

Molecular Properties

Compound Name10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one
PubChem CID10539704
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one
SMILESO=c1c2c(c(-c3ccccc3)c3n1CCN3)CCCC2
InChIInChI=1S/C17H18N2O/c20-17-14-9-5-4-8-13(14)15(12-6-2-1-3-7-12)16-18-10-11-19(16)17/h1-3,6-7,18H,4-5,8-11H2
InChIKeyYRCGBCNRJVRXPU-UHFFFAOYSA-N
XLogP2.82
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one with MolForge

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Related Compounds

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CID 44426797
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N-(cyclohexylmethyl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4378682
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propan-2-ylacetamide
CID 9552020
1,2,3,6,7,8-Hexahydro-4-phenyl-5H-cyclopent[e]imidazo[1,2-a]pyridin-5-one
CID 10354853
13-Ethyl-8-(4-methylphenyl)-5-prop-2-enyl-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10,12-trione
CID 137644677
1-(2,2-Diphenylacetyl)imidazolidin-2-one
CID 674547
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-(2-phenylethyl)acetamide
CID 2093392
2-(2,4-diketo-1,3-diazaspiro[4.6]undecan-3-yl)-N-phenethyl-acetamide
CID 2701855
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-propylacetamide
CID 3987726
N-butyl-2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 4028349
6-Benzyl-1,3,8-trimethyl-5-(propan-2-ylamino)pyrido[2,3-d]pyrimidine-2,4,7-trione
CID 163362278

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one?
The IUPAC name of 10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one (CID 10539704) is 10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one.
What is the SMILES notation for 10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one?
The canonical SMILES for 10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one is O=c1c2c(c(-c3ccccc3)c3n1CCN3)CCCC2.
What is the InChIKey of 10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one?
The InChIKey is YRCGBCNRJVRXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O/c20-17-14-9-5-4-8-13(14)15(12-6-2-1-3-7-12)16-18-10-11-19(16)17/h1-3,6-7,18H,4-5,8-11H2.
What are the key properties of 10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one?
10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one has a molecular weight of 266.34 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2,3,6,7,8,9-hexahydro-1H-imidazo[1,2-b]isoquinolin-5-one is sourced from PubChem (CID 10539704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).