4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol

C26H25N5O — CID 143188239

IUPAC4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol
SMILESCN1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)cc3c2)CC1
InChIInChI=1S/C26H25N5O/c1-30-10-12-31(13-11-30)20-5-9-22-19(14-20)16-24(27-22)18-4-8-23-25(15-18)29-26(28-23)17-2-6-21(32)7-3-17/h2-9,14-16,27,32H,10-13H2,1H3,(H,28,29)
InChIKeyCBKNBQSOTSSRRJ-UHFFFAOYSA-N
MW423.52 g/mol
LogP4.84
Rot. Bonds3

About 4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol

4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol (PubChem CID 143188239) has the molecular formula C26H25N5O and a molecular weight of 423.52 g/mol. Its IUPAC name is 4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol
PubChem CID143188239
Molecular FormulaC26H25N5O
Molecular Weight423.52 g/mol
Exact Mass423.21
IUPAC Name4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol
SMILESCN1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)cc3c2)CC1
InChIInChI=1S/C26H25N5O/c1-30-10-12-31(13-11-30)20-5-9-22-19(14-20)16-24(27-22)18-4-8-23-25(15-18)29-26(28-23)17-2-6-21(32)7-3-17/h2-9,14-16,27,32H,10-13H2,1H3,(H,28,29)
InChIKeyCBKNBQSOTSSRRJ-UHFFFAOYSA-N
XLogP4.84
TPSA71.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 54.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
4-[6-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol;trihydrochloride
CID 159203040
9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
CID 102218320
4-[6-[6-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenol
CID 136504253
6-(4-methylpiperazin-1-yl)-2-[2-(4-prop-2-ynoxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 58160590
2-(3,4-dimethoxyphenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole;trihydrochloride
CID 131704506
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
N,N-dimethyl-2-[4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]ethanamine
CID 155806119
6-(4-methylpiperazin-1-yl)-2-[2-[4-(6-prop-2-ynoxyhexoxy)phenyl]-3H-benzimidazol-5-yl]-1H-benzimidazole
CID 134157712
6-(4-methylpiperazin-1-yl)-2-[2-[(Z)-prop-1-enyl]-3H-benzimidazol-5-yl]-1H-benzimidazole;prop-2-en-1-ol
CID 5288584
2-(4-ethoxy-3-(131I)iodophenyl)-6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazole
CID 10627102

Frequently Asked Questions

What is the IUPAC name of 4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol?
The IUPAC name of 4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol (CID 143188239) is 4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol.
What is the SMILES notation for 4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol?
The canonical SMILES for 4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol is CN1CCN(c2ccc3[nH]c(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)cc3c2)CC1.
What is the InChIKey of 4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol?
The InChIKey is CBKNBQSOTSSRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O/c1-30-10-12-31(13-11-30)20-5-9-22-19(14-20)16-24(27-22)18-4-8-23-25(15-18)29-26(28-23)17-2-6-21(32)7-3-17/h2-9,14-16,27,32H,10-13H2,1H3,(H,28,29).
What are the key properties of 4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol?
4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol has a molecular weight of 423.52 g/mol, XLogP of 4.84, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[5-(4-methylpiperazin-1-yl)-1H-indol-2-yl]-1H-benzimidazol-2-yl]phenol is sourced from PubChem (CID 143188239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).