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

C19H17Cl2N3 — CID 152763848

Data last refreshed: (MolForge compound catalog, from PubChem)

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

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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).

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