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

C19H17Cl2N3 — CID 152763848

IUPAC(4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-n3ccnc3)c2)C1
InChIInChI=1S/C19H17Cl2N3/c1-23-10-17(16-8-14(20)9-19(21)18(16)11-23)13-3-2-4-15(7-13)24-6-5-22-12-24/h2-9,12,17H,10-11H2,1H3/t17-/m0/s1
InChIKeyHQDGQDGKCVVCNN-KRWDZBQOSA-N
MW358.27 g/mol
LogP4.76
Rot. Bonds2

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

(4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (PubChem CID 152763848) has the molecular formula C19H17Cl2N3 and a molecular weight of 358.27 g/mol. Its IUPAC name is (4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name(4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
PubChem CID152763848
Molecular FormulaC19H17Cl2N3
Molecular Weight358.27 g/mol
Exact Mass357.08
IUPAC Name(4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline
SMILESCN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-n3ccnc3)c2)C1
InChIInChI=1S/C19H17Cl2N3/c1-23-10-17(16-8-14(20)9-19(21)18(16)11-23)13-3-2-4-15(7-13)24-6-5-22-12-24/h2-9,12,17H,10-11H2,1H3/t17-/m0/s1
InChIKeyHQDGQDGKCVVCNN-KRWDZBQOSA-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

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

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Related Compounds

Eberconazole
CID 72051
1-[[4-(4-Chlorophenyl)-1-methyl-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
CID 6481248
4-[Bis-(4-chloro-phenyl)-imidazol-1-yl-methyl]-pyridine
CID 44356848
(E)-1-(4-(3-((1H-imidazol-1-yl)methyl)-5-chlorostyryl)phenyl)-4-(cyclopropylmethyl)piperazine
CID 121481877
4-chloro-N-[[3-[(1-ethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-3-phenylaniline
CID 72544431
1-[Bis(2,4-dichlorophenyl)methyl]-3-octylimidazol-3-ium bromide
CID 56673200
1-[Bis(2,4-dichlorophenyl)methyl]-3-decylimidazol-3-ium bromide
CID 56676531
1-[3-(2,4-Dichlorophenyl)-2-(o-tolyl)propyl]imidazole
CID 3006883
1-[[4-(2,4-Dichlorophenyl)-1-ethyl-pyrrol-3-yl]-phenyl-methyl]imidazole
CID 6481247
1-[[4-(4-Chlorophenyl)-1-ethyl-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
CID 6481249
1-[[4-(4-Chlorophenyl)-1-propyl-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
CID 6481250
1-[[4-(2-Chlorophenyl)-1-methyl-pyrrol-3-yl]-(2,4-dichlorophenyl)methyl]imidazole
CID 6481253

Frequently Asked Questions

What is the IUPAC name of (4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of (4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline (CID 152763848) is (4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for (4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for (4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is CN1Cc2c(Cl)cc(Cl)cc2[C@H](c2cccc(-n3ccnc3)c2)C1.
What is the InChIKey of (4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is HQDGQDGKCVVCNN-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17Cl2N3/c1-23-10-17(16-8-14(20)9-19(21)18(16)11-23)13-3-2-4-15(7-13)24-6-5-22-12-24/h2-9,12,17H,10-11H2,1H3/t17-/m0/s1.
What are the key properties of (4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline?
(4S)-6,8-dichloro-4-(3-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 (4S)-6,8-dichloro-4-(3-imidazol-1-ylphenyl)-2-methyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 152763848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).