N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide

C26H25N7O — CID 135820165

IUPACN-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide
SMILESCN1CCN(c2ccc3nc(-c4[nH]nc5c(NC(=O)c6ccccc6)cccc45)[nH]c3c2)CC1
InChIInChI=1S/C26H25N7O/c1-32-12-14-33(15-13-32)18-10-11-20-22(16-18)28-25(27-20)24-19-8-5-9-21(23(19)30-31-24)29-26(34)17-6-3-2-4-7-17/h2-11,16H,12-15H2,1H3,(H,27,28)(H,29,34)(H,30,31)
InChIKeyXIGXNZVNBZANFO-UHFFFAOYSA-N
MW451.53 g/mol
LogP4.11
Rot. Bonds4

About N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide

N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide (PubChem CID 135820165) has the molecular formula C26H25N7O and a molecular weight of 451.53 g/mol. Its IUPAC name is N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide.

Molecular Properties

Compound NameN-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide
PubChem CID135820165
Molecular FormulaC26H25N7O
Molecular Weight451.53 g/mol
Exact Mass451.21
IUPAC NameN-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide
SMILESCN1CCN(c2ccc3nc(-c4[nH]nc5c(NC(=O)c6ccccc6)cccc45)[nH]c3c2)CC1
InChIInChI=1S/C26H25N7O/c1-32-12-14-33(15-13-32)18-10-11-20-22(16-18)28-25(27-20)24-19-8-5-9-21(23(19)30-31-24)29-26(34)17-6-3-2-4-7-17/h2-11,16H,12-15H2,1H3,(H,27,28)(H,29,34)(H,30,31)
InChIKeyXIGXNZVNBZANFO-UHFFFAOYSA-N
XLogP4.11
TPSA92.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820353
[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-phenylmethanone
CID 45488171
N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 18158969
N-[3-[4-acetyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]acetamide
CID 154688973
N-[5-[3-[4-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 136944884
1-[2-methyl-4-(3-methylphenyl)-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
CID 154688968
N-[2-(4-morpholin-4-ylphenyl)-3H-benzimidazol-5-yl]benzamide
CID 67686989
1-(3-methoxyphenyl)-3-[4-[5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrazol-3-yl]phenyl]urea
CID 135489409
1-[4-(3-fluorophenyl)-2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone
CID 154688883
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one
CID 59784658
2-benzamido-N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 66736337
N-[5-(1H-benzimidazol-2-yl)-1H-pyrazol-3-yl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 163228194

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide?
The IUPAC name of N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide (CID 135820165) is N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide.
What is the SMILES notation for N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide?
The canonical SMILES for N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide is CN1CCN(c2ccc3nc(-c4[nH]nc5c(NC(=O)c6ccccc6)cccc45)[nH]c3c2)CC1.
What is the InChIKey of N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide?
The InChIKey is XIGXNZVNBZANFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O/c1-32-12-14-33(15-13-32)18-10-11-20-22(16-18)28-25(27-20)24-19-8-5-9-21(23(19)30-31-24)29-26(34)17-6-3-2-4-7-17/h2-11,16H,12-15H2,1H3,(H,27,28)(H,29,34)(H,30,31).
What are the key properties of N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide?
N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide has a molecular weight of 451.53 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide is sourced from PubChem (CID 135820165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).