3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole

C20H20N4 — CID 159518197

IUPAC3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
SMILES[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2-n2c(nc4ccccc42)C3)[C@H]1C
InChIInChI=1S/C20H20N4/c1-13-8-9-15-12-18-21-16-6-4-5-7-17(16)24(18)20(15)19(13)23-11-10-22(3)14(23)2/h4-11,14H,12H2,1-3H3/t14-/m0/s1/i3D3
InChIKeyGSSLLOQCKLPRPL-KKUKGAKGSA-N
MW319.43 g/mol
LogP3.81
Rot. Bonds2

About 3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole

3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole (PubChem CID 159518197) has the molecular formula C20H20N4 and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
PubChem CID159518197
Molecular FormulaC20H20N4
Molecular Weight319.43 g/mol
Exact Mass319.19
IUPAC Name3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
SMILES[2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2-n2c(nc4ccccc42)C3)[C@H]1C
InChIInChI=1S/C20H20N4/c1-13-8-9-15-12-18-21-16-6-4-5-7-17(16)24(18)20(15)19(13)23-11-10-22(3)14(23)2/h4-11,14H,12H2,1-3H3/t14-/m0/s1/i3D3
InChIKeyGSSLLOQCKLPRPL-KKUKGAKGSA-N
XLogP3.81
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-6-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
CID 162285327
8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
CID 162296833
ethane;11H-indolo[1,2-a]benzimidazole
CID 160799829
1-methyl-3H-pyrrolo[1,2-a]benzimidazole
CID 45078447
1-[2,6-di(propan-2-yl)phenyl]-3-methyl-2-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]indole
CID 118262173
1-(1,4-dimethylpyridin-1-ium-2-yl)-2-methyl-4-(trideuteriomethyl)-11H-indolo[1,2-a]benzimidazole
CID 161473688
7-methyl-8-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
CID 162285393
1-[(2S)-2,3-dimethyl-2H-benzimidazol-1-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;1-[(2S)-2,3-dimethyl-2H-imidazol-1-yl]-2-methyl-11H-indolo[1,2-a]benzimidazole;6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole;6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-4H-imidazo[1,2-a]indole;6-methyl-5-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole;6-methyl-5-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyrazin-1-yl]-4H-imidazo[1,2-a]indole;6-methyl-5-[(2S)-2-methyl-1-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-3-yl]-4H-imidazo[1,2-a]indole;6-methyl-5-[(2R)-2-methyl-3-(trideuteriomethyl)-2H-imidazo[4,5-b]pyridin-1-yl]-4H-imidazo[1,2-a]indole
CID 158022481
8-methyl-7-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]isoquinoline
CID 140917845
(2S)-1-(3,4b,8a-trimethyl-5,6,7,8-tetrahydrobenzo[h]triphenylen-4-yl)-2,3-dimethyl-2H-imidazole
CID 140940635
4,19-dimethyl-2,9-diaza-19-azoniapentacyclo[10.8.0.02,10.03,8.015,20]icosa-1(12),3,5,7,9,13,15(20),16,18-nonaene
CID 159791463
2-(3,6-dimethylpyrimidin-3-ium-4-yl)-3-methyl-11H-indolo[1,2-a]benzimidazole
CID 158354299

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole?
The IUPAC name of 3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole (CID 159518197) is 3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole.
What is the SMILES notation for 3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole?
The canonical SMILES for 3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole is [2H]C([2H])([2H])N1C=CN(c2c(C)ccc3c2-n2c(nc4ccccc42)C3)[C@H]1C.
What is the InChIKey of 3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole?
The InChIKey is GSSLLOQCKLPRPL-KKUKGAKGSA-N. The full InChI is InChI=1S/C20H20N4/c1-13-8-9-15-12-18-21-16-6-4-5-7-17(16)24(18)20(15)19(13)23-11-10-22(3)14(23)2/h4-11,14H,12H2,1-3H3/t14-/m0/s1/i3D3.
What are the key properties of 3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole?
3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole has a molecular weight of 319.43 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole is sourced from PubChem (CID 159518197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).