6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole

C43H45N9O2 — CID 122193002

IUPAC6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole
SMILESCN1CCN(c2ccc3nc(-c4ccc(OCc5cccc(COc6ccc(-c7nc8ccc(N9CCN(C)CC9)cc8[nH]7)cc6)n5)cc4)[nH]c3c2)CC1
InChIInChI=1S/C43H45N9O2/c1-49-18-22-51(23-19-49)34-10-16-38-40(26-34)47-42(45-38)30-6-12-36(13-7-30)53-28-32-4-3-5-33(44-32)29-54-37-14-8-31(9-15-37)43-46-39-17-11-35(27-41(39)48-43)52-24-20-50(2)21-25-52/h3-17,26-27H,18-25,28-29H2,1-2H3,(H,45,47)(H,46,48)
InChIKeyRRSBVSVFWLSBGS-UHFFFAOYSA-N
MW719.89 g/mol
LogP6.83
Rot. Bonds10

About 6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole

6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole (PubChem CID 122193002) has the molecular formula C43H45N9O2 and a molecular weight of 719.89 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole
PubChem CID122193002
Molecular FormulaC43H45N9O2
Molecular Weight719.89 g/mol
Exact Mass719.37
IUPAC Name6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole
SMILESCN1CCN(c2ccc3nc(-c4ccc(OCc5cccc(COc6ccc(-c7nc8ccc(N9CCN(C)CC9)cc8[nH]7)cc6)n5)cc4)[nH]c3c2)CC1
InChIInChI=1S/C43H45N9O2/c1-49-18-22-51(23-19-49)34-10-16-38-40(26-34)47-42(45-38)30-6-12-36(13-7-30)53-28-32-4-3-5-33(44-32)29-54-37-14-8-31(9-15-37)43-46-39-17-11-35(27-41(39)48-43)52-24-20-50(2)21-25-52/h3-17,26-27H,18-25,28-29H2,1-2H3,(H,45,47)(H,46,48)
InChIKeyRRSBVSVFWLSBGS-UHFFFAOYSA-N
XLogP6.83
TPSA101.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.89
LogP ≤ 56.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole (CID 122193002) is 6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole is CN1CCN(c2ccc3nc(-c4ccc(OCc5cccc(COc6ccc(-c7nc8ccc(N9CCN(C)CC9)cc8[nH]7)cc6)n5)cc4)[nH]c3c2)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole?
The InChIKey is RRSBVSVFWLSBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H45N9O2/c1-49-18-22-51(23-19-49)34-10-16-38-40(26-34)47-42(45-38)30-6-12-36(13-7-30)53-28-32-4-3-5-33(44-32)29-54-37-14-8-31(9-15-37)43-46-39-17-11-35(27-41(39)48-43)52-24-20-50(2)21-25-52/h3-17,26-27H,18-25,28-29H2,1-2H3,(H,45,47)(H,46,48).
What are the key properties of 6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole?
6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole has a molecular weight of 719.89 g/mol, XLogP of 6.83, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-2-[4-[[6-[[4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]-2-pyridinyl]methoxy]phenyl]-1H-benzimidazole is sourced from PubChem (CID 122193002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).