2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole

C42H30N8 — CID 58422109

IUPAC2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccc(-c4ccc5cc(-c6ccc(-c7nc8ccc(-c9ccc%10nc(C)[nH]c%10c9)cc8[nH]7)cc6)[nH]c5c4)cc3[nH]2)nc1
InChIInChI=1S/C42H30N8/c1-23-3-13-35(43-22-23)42-48-34-16-12-29(20-40(34)50-42)27-8-9-31-21-36(46-37(31)17-27)25-4-6-26(7-5-25)41-47-33-15-11-30(19-39(33)49-41)28-10-14-32-38(18-28)45-24(2)44-32/h3-22,46H,1-2H3,(H,44,45)(H,47,49)(H,48,50)
InChIKeyZJIOEGZYXQKDQY-UHFFFAOYSA-N
MW646.76 g/mol
LogP10.14
Rot. Bonds5

About 2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole

2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole (PubChem CID 58422109) has the molecular formula C42H30N8 and a molecular weight of 646.76 g/mol. Its IUPAC name is 2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
PubChem CID58422109
Molecular FormulaC42H30N8
Molecular Weight646.76 g/mol
Exact Mass646.26
IUPAC Name2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESCc1ccc(-c2nc3ccc(-c4ccc5cc(-c6ccc(-c7nc8ccc(-c9ccc%10nc(C)[nH]c%10c9)cc8[nH]7)cc6)[nH]c5c4)cc3[nH]2)nc1
InChIInChI=1S/C42H30N8/c1-23-3-13-35(43-22-23)42-48-34-16-12-29(20-40(34)50-42)27-8-9-31-21-36(46-37(31)17-27)25-4-6-26(7-5-25)41-47-33-15-11-30(19-39(33)49-41)28-10-14-32-38(18-28)45-24(2)44-32/h3-22,46H,1-2H3,(H,44,45)(H,47,49)(H,48,50)
InChIKeyZJIOEGZYXQKDQY-UHFFFAOYSA-N
XLogP10.14
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500646.76
LogP ≤ 510.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole with MolForge

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Related Compounds

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N-methyl-N-[[7-(3-pyrrolidin-1-ylpropyl)-1H-benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine
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CID 11538107
N-[[7-[[2-(1H-imidazol-5-yl)ethylamino]methyl]-1H-benzimidazol-2-yl]methyl]-N-methyl-5,6,7,8-tetrahydroquinolin-8-amine
CID 11697340

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole?
The IUPAC name of 2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole (CID 58422109) is 2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole is Cc1ccc(-c2nc3ccc(-c4ccc5cc(-c6ccc(-c7nc8ccc(-c9ccc%10nc(C)[nH]c%10c9)cc8[nH]7)cc6)[nH]c5c4)cc3[nH]2)nc1.
What is the InChIKey of 2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole?
The InChIKey is ZJIOEGZYXQKDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H30N8/c1-23-3-13-35(43-22-23)42-48-34-16-12-29(20-40(34)50-42)27-8-9-31-21-36(46-37(31)17-27)25-4-6-26(7-5-25)41-47-33-15-11-30(19-39(33)49-41)28-10-14-32-38(18-28)45-24(2)44-32/h3-22,46H,1-2H3,(H,44,45)(H,47,49)(H,48,50).
What are the key properties of 2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole?
2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole has a molecular weight of 646.76 g/mol, XLogP of 10.14, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-[4-[6-[2-(5-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]-1H-indol-2-yl]phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 58422109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).