2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole

C39H32N12 — CID 136503856

IUPAC2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESCc1cc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)n[nH]1.Cc1cnc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cn1
InChIInChI=1S/C20H16N6.C19H16N6/c1-11-9-22-19(10-21-11)20-25-16-6-4-14(8-18(16)26-20)13-3-5-15-17(7-13)24-12(2)23-15;1-10-7-18(25-24-10)19-22-15-6-4-13(9-17(15)23-19)12-3-5-14-16(8-12)21-11(2)20-14/h3-10H,1-2H3,(H,23,24)(H,25,26);3-9H,1-2H3,(H,20,21)(H,22,23)(H,24,25)
InChIKeyCGJGFEHUMWLWDJ-UHFFFAOYSA-N
MW668.77 g/mol
LogP8.29
Rot. Bonds4

About 2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole

2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole (PubChem CID 136503856) has the molecular formula C39H32N12 and a molecular weight of 668.77 g/mol. Its IUPAC name is 2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
PubChem CID136503856
Molecular FormulaC39H32N12
Molecular Weight668.77 g/mol
Exact Mass668.29
IUPAC Name2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESCc1cc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)n[nH]1.Cc1cnc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cn1
InChIInChI=1S/C20H16N6.C19H16N6/c1-11-9-22-19(10-21-11)20-25-16-6-4-14(8-18(16)26-20)13-3-5-15-17(7-13)24-12(2)23-15;1-10-7-18(25-24-10)19-22-15-6-4-13(9-17(15)23-19)12-3-5-14-16(8-12)21-11(2)20-14/h3-10H,1-2H3,(H,23,24)(H,25,26);3-9H,1-2H3,(H,20,21)(H,22,23)(H,24,25)
InChIKeyCGJGFEHUMWLWDJ-UHFFFAOYSA-N
XLogP8.29
TPSA169.18 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500668.77
LogP ≤ 58.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole with MolForge

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Related Compounds

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CID 11168481
4-{3-[7-(4-Methylpiperazin-1-Yl)-1h-Benzimidazol-2-Yl]-1h-Indazol-6-Yl}aniline
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CID 49836427
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The IUPAC name of 2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole (CID 136503856) is 2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole is Cc1cc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)n[nH]1.Cc1cnc(-c2nc3ccc(-c4ccc5nc(C)[nH]c5c4)cc3[nH]2)cn1.
What is the InChIKey of 2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The InChIKey is CGJGFEHUMWLWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6.C19H16N6/c1-11-9-22-19(10-21-11)20-25-16-6-4-14(8-18(16)26-20)13-3-5-15-17(7-13)24-12(2)23-15;1-10-7-18(25-24-10)19-22-15-6-4-13(9-17(15)23-19)12-3-5-14-16(8-12)21-11(2)20-14/h3-10H,1-2H3,(H,23,24)(H,25,26);3-9H,1-2H3,(H,20,21)(H,22,23)(H,24,25).
What are the key properties of 2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole has a molecular weight of 668.77 g/mol, XLogP of 8.29, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(5-methylpyrazin-2-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole;2-methyl-6-[2-(5-methyl-1H-pyrazol-3-yl)-3H-benzimidazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 136503856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).