6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline

C19H17Cl2N3 — CID 141072070

IUPAC6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C19H17Cl2N3/c1-23-10-17(16-8-14(20)9-19(21)18(16)11-23)13-2-4-15(5-3-13)24-7-6-22-12-24/h2-9,12,17H,10-11H2,1H3
InChIKeyGMPRDXZTHJFARX-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.76
Rot. Bonds2

About 6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline

6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 141072070) has the molecular formula C19H17Cl2N3 and a molecular weight of 358.27 g/mol. Its IUPAC name is 6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID141072070
Molecular FormulaC19H17Cl2N3
Molecular Weight358.27 g/mol
Exact Mass357.08
IUPAC Name6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(-n3ccnc3)cc2)C1
InChIInChI=1S/C19H17Cl2N3/c1-23-10-17(16-8-14(20)9-19(21)18(16)11-23)13-2-4-15(5-3-13)24-7-6-22-12-24/h2-9,12,17H,10-11H2,1H3
InChIKeyGMPRDXZTHJFARX-UHFFFAOYSA-N
XLogP4.76
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
CID 152763848
6,8-dichloro-2-methyl-4-phenyl-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 172804184
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2,2-dimethylpropanamide
CID 10178516
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]ethanesulfonamide;iodomethane
CID 158219395
4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-N-methylsulfanylbenzenesulfonamide
CID 138593305
1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1,3,3-trimethylurea
CID 22386870
1-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]cyclopropane-1-carboxamide
CID 159674949
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-2-(methylamino)acetamide
CID 10215836
7-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)-3,4-dihydro-2H-isoquinolin-1-one
CID 170347222
2-[3-[(4S)-6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]-1,3-oxazole
CID 129158144
N-[4-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 20806516
6,8-dichloro-2-methyl-4-[3-(2-methylpiperidin-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline
CID 141072071

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 141072070) is 6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2c(Cl)cc(Cl)cc2C(c2ccc(-n3ccnc3)cc2)C1.
What is the InChIKey of 6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is GMPRDXZTHJFARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3/c1-23-10-17(16-8-14(20)9-19(21)18(16)11-23)13-2-4-15(5-3-13)24-7-6-22-12-24/h2-9,12,17H,10-11H2,1H3.
What are the key properties of 6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 358.27 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-4-(4-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 141072070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).