3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one

C12H13N3O — CID 103124914

IUPAC3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1cccc2c1CNCC2
InChIInChI=1S/C12H13N3O/c16-12-14-6-7-15(12)11-3-1-2-9-4-5-13-8-10(9)11/h1-3,6-7,13H,4-5,8H2,(H,14,16)
InChIKeyMSXBBOYUWVPUAW-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.81
Rot. Bonds1

About 3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one

3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one (PubChem CID 103124914) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one
PubChem CID103124914
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one
SMILESO=c1[nH]ccn1-c1cccc2c1CNCC2
InChIInChI=1S/C12H13N3O/c16-12-14-6-7-15(12)11-3-1-2-9-4-5-13-8-10(9)11/h1-3,6-7,13H,4-5,8H2,(H,14,16)
InChIKeyMSXBBOYUWVPUAW-UHFFFAOYSA-N
XLogP0.81
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Sumanirole
CID 9818479
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3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CID 3846558
1-methyl-1H-perimidin-2(3H)-one
CID 715306
1-(1-Naphthyl)-3-propylurea
CID 5129202
N-(2,5-dimethylphenyl)-N'-[2-(4-propylpiperazin-1-yl)ethyl]urea
CID 22430388
N-(2,3-dimethylphenyl)-3,4-dihydroisoquinoline-2(1H)-carboxamide
CID 3840885
N-(2-ethylphenyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 3869589
1,3-dimethyl-1H-perimidin-2(3H)-one
CID 745098
1,3-diethyl-1H-perimidin-2(3H)-one
CID 802300
N-(2-methylphenyl)-N'-[3-(4-methylpiperazin-1-yl)propyl]urea
CID 2222200
N-(1-Naphthyl)-4-phenyl-1-piperazinecarboxamide
CID 258849

Frequently Asked Questions

What is the IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one?
The IUPAC name of 3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one (CID 103124914) is 3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one.
What is the SMILES notation for 3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one?
The canonical SMILES for 3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one is O=c1[nH]ccn1-c1cccc2c1CNCC2.
What is the InChIKey of 3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one?
The InChIKey is MSXBBOYUWVPUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12-14-6-7-15(12)11-3-1-2-9-4-5-13-8-10(9)11/h1-3,6-7,13H,4-5,8H2,(H,14,16).
What are the key properties of 3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one?
3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one has a molecular weight of 215.26 g/mol, XLogP of 0.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2,3,4-tetrahydroisoquinolin-8-yl)-1H-imidazol-2-one is sourced from PubChem (CID 103124914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).