1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one

C19H25N3O2 — CID 134800268

IUPAC1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one
SMILESO=C(C1CN(C2CCCCC2)C(=O)N1)N1CCc2ccccc2C1
InChIInChI=1S/C19H25N3O2/c23-18(21-11-10-14-6-4-5-7-15(14)12-21)17-13-22(19(24)20-17)16-8-2-1-3-9-16/h4-7,16-17H,1-3,8-13H2,(H,20,24)
InChIKeyMJVDEKAYXXZHJH-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.30
Rot. Bonds2

About 1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one

1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one (PubChem CID 134800268) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one
PubChem CID134800268
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one
SMILESO=C(C1CN(C2CCCCC2)C(=O)N1)N1CCc2ccccc2C1
InChIInChI=1S/C19H25N3O2/c23-18(21-11-10-14-6-4-5-7-15(14)12-21)17-13-22(19(24)20-17)16-8-2-1-3-9-16/h4-7,16-17H,1-3,8-13H2,(H,20,24)
InChIKeyMJVDEKAYXXZHJH-UHFFFAOYSA-N
XLogP2.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7S)-7-(3,4-dihydro-1H-isoquinoline-2-carbonyl)azepan-2-one
CID 129402879
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 91919657
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)morpholin-3-one
CID 110696722
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)thiomorpholin-3-one
CID 110695458
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclohexane-1-carboxylic acid
CID 4688630
3,4-dihydro-1H-isoquinolin-2-yl(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119261638
3,4-dihydro-1H-isoquinolin-2-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 134034276
1-cyclopentyl-2-oxoimidazolidine-4-carboxylic acid
CID 83699474
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
1-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)-4-(3,4-dihydro-1H-isoquinolin-2-yl)butane-1,4-dione
CID 170265341
dicyclohexyl-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]azanium
CID 2105503

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one (CID 134800268) is 1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one is O=C(C1CN(C2CCCCC2)C(=O)N1)N1CCc2ccccc2C1.
What is the InChIKey of 1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one?
The InChIKey is MJVDEKAYXXZHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c23-18(21-11-10-14-6-4-5-7-15(14)12-21)17-13-22(19(24)20-17)16-8-2-1-3-9-16/h4-7,16-17H,1-3,8-13H2,(H,20,24).
What are the key properties of 1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one?
1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one has a molecular weight of 327.43 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 134800268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).