3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one

C19H17Cl2N3O — CID 66865105

IUPAC3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2-n2cc[nH]c2=O)C1
InChIInChI=1S/C19H17Cl2N3O/c1-23-10-15(14-8-12(20)9-17(21)16(14)11-23)13-4-2-3-5-18(13)24-7-6-22-19(24)25/h2-9,15H,10-11H2,1H3,(H,22,25)
InChIKeyBXVIXOZSBVOION-UHFFFAOYSA-N
MW374.27 g/mol
LogP4.05
Rot. Bonds2

About 3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one

3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one (PubChem CID 66865105) has the molecular formula C19H17Cl2N3O and a molecular weight of 374.27 g/mol. Its IUPAC name is 3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one
PubChem CID66865105
Molecular FormulaC19H17Cl2N3O
Molecular Weight374.27 g/mol
Exact Mass373.07
IUPAC Name3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2-n2cc[nH]c2=O)C1
InChIInChI=1S/C19H17Cl2N3O/c1-23-10-15(14-8-12(20)9-17(21)16(14)11-23)13-4-2-3-5-18(13)24-7-6-22-19(24)25/h2-9,15H,10-11H2,1H3,(H,22,25)
InChIKeyBXVIXOZSBVOION-UHFFFAOYSA-N
XLogP4.05
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one with MolForge

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Related Compounds

1-[2-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione
CID 11689628
1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidine-2,5-dione;hydrochloride
CID 66865360
1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pyrrolidin-2-one
CID 66864800
3-[2-[(4R)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-4-hydroxy-1-methylimidazol-2-one
CID 91052953
2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)benzenesulfonyl chloride
CID 89088125
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 172804184
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;ethane
CID 142248458
1-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-3-methylpyrrole-2,5-diol
CID 91534108
(4R)-6,8-dichloro-4-[2-(3,3-dimethyl-2H-pyrrol-1-yl)phenyl]-2-methyl-3,4-dihydro-1H-isoquinoline
CID 141156113
1-[2-[(4R)-8-bromo-6-chloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pyrrolidine-2,5-dione;hydrochloride
CID 162337069
3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1,1-dimethylurea
CID 22386857
3-[2-[(4R)-6,8-dichloro-2-cyclopropyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-4-hydroxy-1H-imidazol-2-one
CID 91178447

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one (CID 66865105) is 3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccccc2-n2cc[nH]c2=O)C1.
What is the InChIKey of 3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one?
The InChIKey is BXVIXOZSBVOION-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O/c1-23-10-15(14-8-12(20)9-17(21)16(14)11-23)13-4-2-3-5-18(13)24-7-6-22-19(24)25/h2-9,15H,10-11H2,1H3,(H,22,25).
What are the key properties of 3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one?
3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one has a molecular weight of 374.27 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 66865105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).