8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline

C15H17N3 — CID 140917845

IUPAC8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline
SMILES[2H]C([2H])([2H])N1C=CN(c2ccc3ccncc3c2C)[C@H]1C
InChIInChI=1S/C15H17N3/c1-11-14-10-16-7-6-13(14)4-5-15(11)18-9-8-17(3)12(18)2/h4-10,12H,1-3H3/t12-/m0/s1/i3D3
InChIKeyPNTSXSWKVYCRPT-OGWVHELISA-N
MW242.34 g/mol
LogP3.11
Rot. Bonds2

About 8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline

8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline (PubChem CID 140917845) has the molecular formula C15H17N3 and a molecular weight of 242.34 g/mol. Its IUPAC name is 8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline.

Molecular Properties

Compound Name8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline
PubChem CID140917845
Molecular FormulaC15H17N3
Molecular Weight242.34 g/mol
Exact Mass242.16
IUPAC Name8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline
SMILES[2H]C([2H])([2H])N1C=CN(c2ccc3ccncc3c2C)[C@H]1C
InChIInChI=1S/C15H17N3/c1-11-14-10-16-7-6-13(14)4-5-15(11)18-9-8-17(3)12(18)2/h4-10,12H,1-3H3/t12-/m0/s1/i3D3
InChIKeyPNTSXSWKVYCRPT-OGWVHELISA-N
XLogP3.11
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,9-phenanthroline
CID 23271029
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole
CID 118262173
(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-benzimidazole;(2S)-1,2-dimethyl-3-(2-methylphenyl)-2H-imidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-benzimidazole;(2S)-2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-imidazole
CID 162090978
8,44-diazadodecacyclo[24.24.0.02,23.03,20.04,17.05,14.06,11.029,50.032,49.035,48.038,47.041,46]pentaconta-1(26),2(23),3(20),4(17),5(14),6(11),7,9,12,15,18,21,24,27,29(50),30,32(49),33,35(48),36,38(47),39,41(46),42,44-pentacosaene
CID 122389532
3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
CID 159518197
pyrido[3,4-f]phthalazine
CID 122577314
1,2-dimethyl-3-(2-methylphenyl)-2H-imidazo[4,5-b]pyrazine;2-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(2-methylphenyl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-3-(2-methylphenyl)-1-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(2-methylphenyl)-3-(trideuteriomethyl)-2H-imidazole
CID 162296637
5,6-dimethyl-2,8-phenanthroline
CID 139435789
isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
8-methyl-7-(1-methylpyridin-1-ium-2-yl)isoquinoline
CID 140917887
(2S)-1-[5,10-bis(2,6-dimethylphenyl)-1-methylboranthren-2-yl]-2,3-dimethyl-2H-imidazole
CID 153276187
1,2,4,5-tetramethylimidazo[1,2-a][1,6]naphthyridine
CID 122523467

Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline?
The IUPAC name of 8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline (CID 140917845) is 8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline.
What is the SMILES notation for 8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline?
The canonical SMILES for 8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline is [2H]C([2H])([2H])N1C=CN(c2ccc3ccncc3c2C)[C@H]1C.
What is the InChIKey of 8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline?
The InChIKey is PNTSXSWKVYCRPT-OGWVHELISA-N. The full InChI is InChI=1S/C15H17N3/c1-11-14-10-16-7-6-13(14)4-5-15(11)18-9-8-17(3)12(18)2/h4-10,12H,1-3H3/t12-/m0/s1/i3D3.
What are the key properties of 8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline?
8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline has a molecular weight of 242.34 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline is sourced from PubChem (CID 140917845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).