1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one

C14H17N3O2 — CID 8897146

IUPAC1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one
SMILESO=C(CN1CCc2ccccc2C1)N1CCNC1=O
InChIInChI=1S/C14H17N3O2/c18-13(17-8-6-15-14(17)19)10-16-7-5-11-3-1-2-4-12(11)9-16/h1-4H,5-10H2,(H,15,19)
InChIKeyZXXFUZSMRGKEOL-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.60
Rot. Bonds2

About 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one

1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one (PubChem CID 8897146) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one
PubChem CID8897146
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one
SMILESO=C(CN1CCc2ccccc2C1)N1CCNC1=O
InChIInChI=1S/C14H17N3O2/c18-13(17-8-6-15-14(17)19)10-16-7-5-11-3-1-2-4-12(11)9-16/h1-4H,5-10H2,(H,15,19)
InChIKeyZXXFUZSMRGKEOL-UHFFFAOYSA-N
XLogP0.60
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 29158977
1-[2-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]acetyl]imidazolidin-2-one
CID 95334948
4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3,3-dimethyl-1H-quinoxalin-2-one
CID 8896899
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(5-oxophenothiazin-10-yl)ethanone
CID 66492591
1-(2,3-dihydro-1H-indol-5-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 82102443
ethyl 4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]piperazine-1-carboxylate
CID 109000030
1-[2-[4-(2-thiophen-2-ylethyl)piperazin-1-yl]acetyl]imidazolidin-2-one
CID 47073365
1-[2-(3,5-dimethylpiperazin-1-yl)acetyl]imidazolidin-2-one
CID 63872731
1-(1,4-diazepan-1-yl)-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
CID 63153181
1-(4-cyclopentylpiperazin-1-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 57420589
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 71892135
2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)acetic acid
CID 54461030

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one (CID 8897146) is 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one is O=C(CN1CCc2ccccc2C1)N1CCNC1=O.
What is the InChIKey of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one?
The InChIKey is ZXXFUZSMRGKEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c18-13(17-8-6-15-14(17)19)10-16-7-5-11-3-1-2-4-12(11)9-16/h1-4H,5-10H2,(H,15,19).
What are the key properties of 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one?
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one has a molecular weight of 259.31 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]imidazolidin-2-one is sourced from PubChem (CID 8897146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).