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

C26H24N8 — CID 135820353

IUPAC2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCN1CCN(c2ccc3nc(-c4[nH]nc5c(-c6nc7ccccc7[nH]6)cccc45)[nH]c3c2)CC1
InChIInChI=1S/C26H24N8/c1-33-11-13-34(14-12-33)16-9-10-21-22(15-16)30-26(29-21)24-17-5-4-6-18(23(17)31-32-24)25-27-19-7-2-3-8-20(19)28-25/h2-10,15H,11-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)
InChIKeyNAFBEWIHZUEIJB-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.40
Rot. Bonds3

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

2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 135820353) has the molecular formula C26H24N8 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
PubChem CID135820353
Molecular FormulaC26H24N8
Molecular Weight448.53 g/mol
Exact Mass448.21
IUPAC Name2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCN1CCN(c2ccc3nc(-c4[nH]nc5c(-c6nc7ccccc7[nH]6)cccc45)[nH]c3c2)CC1
InChIInChI=1S/C26H24N8/c1-33-11-13-34(14-12-33)16-9-10-21-22(15-16)30-26(29-21)24-17-5-4-6-18(23(17)31-32-24)25-27-19-7-2-3-8-20(19)28-25/h2-10,15H,11-14H2,1H3,(H,27,28)(H,29,30)(H,31,32)
InChIKeyNAFBEWIHZUEIJB-UHFFFAOYSA-N
XLogP4.40
TPSA92.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2H-indazol-7-yl]benzamide
CID 135820165
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole
CID 59785439
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one
CID 59784658
N-methyl-2-(7-methyl-2H-indazol-3-yl)-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine
CID 135820407
9-methyl-3,6-bis[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]carbazole
CID 102218320
4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]aniline
CID 163663064
2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820212
2-[4-[3-(4-methylpiperazin-1-yl)phenoxy]phenyl]-1H-benzimidazole
CID 71425720
1-amino-5-fluoro-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]quinolin-2-one
CID 57336746
2-[2-chloro-5-[4-(4-methyl-1,4-diazepan-1-yl)piperidin-1-yl]phenyl]-1H-benzimidazole
CID 59568353
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile
CID 135820452
2-[6-(methoxymethyl)-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820161

Frequently Asked Questions

What is the IUPAC name of 2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (CID 135820353) is 2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole is CN1CCN(c2ccc3nc(-c4[nH]nc5c(-c6nc7ccccc7[nH]6)cccc45)[nH]c3c2)CC1.
What is the InChIKey of 2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is NAFBEWIHZUEIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8/c1-33-11-13-34(14-12-33)16-9-10-21-22(15-16)30-26(29-21)24-17-5-4-6-18(23(17)31-32-24)25-27-19-7-2-3-8-20(19)28-25/h2-10,15H,11-14H2,1H3,(H,27,28)(H,29,30)(H,31,32).
What are the key properties of 2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 448.53 g/mol, XLogP of 4.40, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1H-benzimidazol-2-yl)-2H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 135820353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).