8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole

C22H24N4 — CID 162296833

IUPAC8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
SMILES[2H]C([2H])([2H])C([2H])(C)N1C=CN(c2c(C)ccc3c2nc2n3-c3ccccc3C2)[C@H]1C
InChIInChI=1S/C22H24N4/c1-14(2)24-11-12-25(16(24)4)22-15(3)9-10-19-21(22)23-20-13-17-7-5-6-8-18(17)26(19)20/h5-12,14,16H,13H2,1-4H3/t16-/m0/s1/i1D3,14D/t14?,16-
InChIKeyNSYILMONXLDHEZ-QDBIASCDSA-N
MW348.49 g/mol
LogP4.59
Rot. Bonds3

About 8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole

8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole (PubChem CID 162296833) has the molecular formula C22H24N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole.

Molecular Properties

Compound Name8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
PubChem CID162296833
Molecular FormulaC22H24N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
SMILES[2H]C([2H])([2H])C([2H])(C)N1C=CN(c2c(C)ccc3c2nc2n3-c3ccccc3C2)[C@H]1C
InChIInChI=1S/C22H24N4/c1-14(2)24-11-12-25(16(24)4)22-15(3)9-10-19-21(22)23-20-13-17-7-5-6-8-18(17)26(19)20/h5-12,14,16H,13H2,1-4H3/t16-/m0/s1/i1D3,14D/t14?,16-
InChIKeyNSYILMONXLDHEZ-QDBIASCDSA-N
XLogP4.59
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole with MolForge

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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
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
6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-3H-pyrrolo[1,2-a]benzimidazole
CID 158755092
3-methyl-4-[(2S)-2-methyl-3-(trideuteriomethyl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole
CID 159518197
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
2-[(2S)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-1-methyl-6-[(2R)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]pyridin-1-ium
CID 159407092
8-methyl-9-[1-methyl-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazol-1-ium-2-yl]-11H-indolo[1,2-a]benzimidazole
CID 160875014
1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-benzimidazole;1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-benzimidazole
CID 162301817
ethane;11H-indolo[1,2-a]benzimidazole
CID 160799829
2-(2-deuteriopropan-2-yl)-8-[(2S)-3-(2-deuteriopropan-2-yl)-2-methyl-2H-imidazol-1-yl]-7-methyl-[1]benzofuro[2,3-b]pyridine
CID 118083747
9-[4-(cyclohexylmethyl)-1,5-dimethylpyridin-1-ium-2-yl]-8-methyl-11H-indolo[1,2-a]benzimidazole
CID 159345703
1-(2-deuteriopropan-2-yl)-2-methyl-3-(3-methyldibenzofuran-4-yl)-2H-imidazole;2-methyl-3-(3-methyldibenzofuran-4-yl)-1-phenyl-2H-imidazo[4,5-b]pyrazine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-phenyl-2H-imidazo[4,5-b]pyridine;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazole;2-methyl-1-(3-methyldibenzofuran-4-yl)-3-(trideuteriomethyl)-2H-imidazole
CID 162297075

Frequently Asked Questions

What is the IUPAC name of 8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole?
The IUPAC name of 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) is 8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole.
What is the SMILES notation for 8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole?
The canonical SMILES for 8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole is [2H]C([2H])([2H])C([2H])(C)N1C=CN(c2c(C)ccc3c2nc2n3-c3ccccc3C2)[C@H]1C.
What is the InChIKey of 8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole?
The InChIKey is NSYILMONXLDHEZ-QDBIASCDSA-N. The full InChI is InChI=1S/C22H24N4/c1-14(2)24-11-12-25(16(24)4)22-15(3)9-10-19-21(22)23-20-13-17-7-5-6-8-18(17)26(19)20/h5-12,14,16H,13H2,1-4H3/t16-/m0/s1/i1D3,14D/t14?,16-.
What are the key properties of 8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole?
8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole has a molecular weight of 348.49 g/mol, XLogP of 4.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-9-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-imidazol-1-yl]-11H-indolo[1,2-a]benzimidazole is sourced from PubChem (CID 162296833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).