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6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole

C22H24N4 — CID 158022488

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

IUPAC6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole
SMILES[2H]C([2H])([2H])C([2H])(C)N1c2ccccc2N(c2c(C)ccc3c2Cc2nccn2-3)[C@H]1C
InChIInChI=1S/C22H24N4/c1-14(2)25-16(4)26(20-8-6-5-7-19(20)25)22-15(3)9-10-18-17(22)13-21-23-11-12-24(18)21/h5-12,14,16H,13H2,1-4H3/t16-/m0/s1/i1D3,14D/t14?,16-
InChIKeyBVRVZAUQERUEBZ-QDBIASCDSA-N
MW348.49 g/mol
LogP4.80
Rot. Bonds3

About 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-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole (PubChem CID 158022488) has the molecular formula C22H24N4 and a molecular weight of 348.49 g/mol. Its IUPAC name is 6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole.

Molecular Properties

Compound Name6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole
PubChem CID158022488
Molecular FormulaC22H24N4
Molecular Weight348.49 g/mol
Exact Mass348.23
IUPAC Name6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole
SMILES[2H]C([2H])([2H])C([2H])(C)N1c2ccccc2N(c2c(C)ccc3c2Cc2nccn2-3)[C@H]1C
InChIInChI=1S/C22H24N4/c1-14(2)25-16(4)26(20-8-6-5-7-19(20)25)22-15(3)9-10-18-17(22)13-21-23-11-12-24(18)21/h5-12,14,16H,13H2,1-4H3/t16-/m0/s1/i1D3,14D/t14?,16-
InChIKeyBVRVZAUQERUEBZ-QDBIASCDSA-N
XLogP4.80
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 ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole?
The IUPAC name of 6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole (CID 158022488) is 6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole.
What is the SMILES notation for 6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole?
The canonical SMILES for 6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole is [2H]C([2H])([2H])C([2H])(C)N1c2ccccc2N(c2c(C)ccc3c2Cc2nccn2-3)[C@H]1C.
What is the InChIKey of 6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole?
The InChIKey is BVRVZAUQERUEBZ-QDBIASCDSA-N. The full InChI is InChI=1S/C22H24N4/c1-14(2)25-16(4)26(20-8-6-5-7-19(20)25)22-15(3)9-10-18-17(22)13-21-23-11-12-24(18)21/h5-12,14,16H,13H2,1-4H3/t16-/m0/s1/i1D3,14D/t14?,16-.
What are the key properties of 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-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole has a molecular weight of 348.49 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[(2S)-2-methyl-3-(1,1,1,2-tetradeuteriopropan-2-yl)-2H-benzimidazol-1-yl]-4H-imidazo[1,2-a]indole is sourced from PubChem (CID 158022488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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