9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole

C37H39N9 — CID 102218320

IUPAC9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
SMILESCN1CCN(c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccc(N8CCN(C)CC8)cc7[nH]6)ccc4n5C)[nH]c3c2)CC1
InChIInChI=1S/C37H39N9/c1-42-12-16-45(17-13-42)26-6-8-30-32(22-26)40-36(38-30)24-4-10-34-28(20-24)29-21-25(5-11-35(29)44(34)3)37-39-31-9-7-27(23-33(31)41-37)46-18-14-43(2)15-19-46/h4-11,20-23H,12-19H2,1-3H3,(H,38,40)(H,39,41)
InChIKeyINNLICWOPQUYDP-UHFFFAOYSA-N
MW609.78 g/mol
LogP5.92
Rot. Bonds4

About 9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole

9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole (PubChem CID 102218320) has the molecular formula C37H39N9 and a molecular weight of 609.78 g/mol. Its IUPAC name is 9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole.

Molecular Properties

Compound Name9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
PubChem CID102218320
Molecular FormulaC37H39N9
Molecular Weight609.78 g/mol
Exact Mass609.33
IUPAC Name9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
SMILESCN1CCN(c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccc(N8CCN(C)CC8)cc7[nH]6)ccc4n5C)[nH]c3c2)CC1
InChIInChI=1S/C37H39N9/c1-42-12-16-45(17-13-42)26-6-8-30-32(22-26)40-36(38-30)24-4-10-34-28(20-24)29-21-25(5-11-35(29)44(34)3)37-39-31-9-7-27(23-33(31)41-37)46-18-14-43(2)15-19-46/h4-11,20-23H,12-19H2,1-3H3,(H,38,40)(H,39,41)
InChIKeyINNLICWOPQUYDP-UHFFFAOYSA-N
XLogP5.92
TPSA75.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500609.78
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 131704506
2-[4-[2-[6-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-1H-benzimidazol-2-yl]-9-[4-(4-methylpiperazin-1-yl)butyl]carbazol-3-yl]-3H-benzimidazol-5-yl]piperazin-1-yl]ethanol
CID 118710798
azane;2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 69083444
2-(4-ethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;tetrahydrate;trihydrochloride
CID 146675206
6-(4-methylpiperazin-1-yl)-2-[2-(4-prop-2-ynoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 58160590
2-(4-ethoxy-3-(131I)iodophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 10627102
N,N-dimethyl-2-[4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethanamine
CID 155806119
2-(3-butoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 166963203
6-(4-methylpiperazin-1-yl)-2-[2-[(Z)-prop-1-enyl]-3H-benzimidazol-5-yl]-1H-benzimidazole;prop-2-en-1-ol
CID 5288584
4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol
CID 143188239
6-(4-methylpiperazin-1-yl)-2-[2-[4-(6-prop-2-ynoxyhexoxy)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 134157712

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole?
The IUPAC name of 9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole (CID 102218320) is 9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole.
What is the SMILES notation for 9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole?
The canonical SMILES for 9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole is CN1CCN(c2ccc3nc(-c4ccc5c(c4)c4cc(-c6nc7ccc(N8CCN(C)CC8)cc7[nH]6)ccc4n5C)[nH]c3c2)CC1.
What is the InChIKey of 9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole?
The InChIKey is INNLICWOPQUYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H39N9/c1-42-12-16-45(17-13-42)26-6-8-30-32(22-26)40-36(38-30)24-4-10-34-28(20-24)29-21-25(5-11-35(29)44(34)3)37-39-31-9-7-27(23-33(31)41-37)46-18-14-43(2)15-19-46/h4-11,20-23H,12-19H2,1-3H3,(H,38,40)(H,39,41).
What are the key properties of 9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole?
9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole has a molecular weight of 609.78 g/mol, XLogP of 5.92, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole is sourced from PubChem (CID 102218320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).