2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

C26H26N6O — CID 10071840

IUPAC2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3[nH]2)cc1
InChIInChI=1S/C26H26N6O/c1-31-11-13-32(14-12-31)19-6-10-22-24(16-19)30-26(28-22)18-5-9-21-23(15-18)29-25(27-21)17-3-7-20(33-2)8-4-17/h3-10,15-16H,11-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyZEEIKPHYGCYRRH-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.53
Rot. Bonds4

About 2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole

2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole (PubChem CID 10071840) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
PubChem CID10071840
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
SMILESCOc1ccc(-c2nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3[nH]2)cc1
InChIInChI=1S/C26H26N6O/c1-31-11-13-32(14-12-31)19-6-10-22-24(16-19)30-26(28-22)18-5-9-21-23(15-18)29-25(27-21)17-3-7-20(33-2)8-4-17/h3-10,15-16H,11-14H2,1-2H3,(H,27,29)(H,28,30)
InChIKeyZEEIKPHYGCYRRH-UHFFFAOYSA-N
XLogP4.53
TPSA73.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole?
The IUPAC name of 2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole (CID 10071840) is 2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole is COc1ccc(-c2nc3ccc(-c4nc5ccc(N6CCN(C)CC6)cc5[nH]4)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole?
The InChIKey is ZEEIKPHYGCYRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-31-11-13-32(14-12-31)19-6-10-22-24(16-19)30-26(28-22)18-5-9-21-23(15-18)29-25(27-21)17-3-7-20(33-2)8-4-17/h3-10,15-16H,11-14H2,1-2H3,(H,27,29)(H,28,30).
What are the key properties of 2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole?
2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole has a molecular weight of 438.54 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole is sourced from PubChem (CID 10071840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).