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

C26H27N7 — CID 135928482

IUPACN-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline
SMILESCNc1ccc(-c2ccc3c(-c4nc5c(N6CCN(C)CC6)cccc5[nH]4)n[nH]c3c2)cc1
InChIInChI=1S/C26H27N7/c1-27-19-9-6-17(7-10-19)18-8-11-20-22(16-18)30-31-24(20)26-28-21-4-3-5-23(25(21)29-26)33-14-12-32(2)13-15-33/h3-11,16,27H,12-15H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyMAARHZWIPNUTPX-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.57
Rot. Bonds4

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

N-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline (PubChem CID 135928482) has the molecular formula C26H27N7 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline.

Molecular Properties

Compound NameN-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline
PubChem CID135928482
Molecular FormulaC26H27N7
Molecular Weight437.55 g/mol
Exact Mass437.23
IUPAC NameN-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline
SMILESCNc1ccc(-c2ccc3c(-c4nc5c(N6CCN(C)CC6)cccc5[nH]4)n[nH]c3c2)cc1
InChIInChI=1S/C26H27N7/c1-27-19-9-6-17(7-10-19)18-8-11-20-22(16-18)30-31-24(20)26-28-21-4-3-5-23(25(21)29-26)33-14-12-32(2)13-15-33/h3-11,16,27H,12-15H2,1-2H3,(H,28,29)(H,30,31)
InChIKeyMAARHZWIPNUTPX-UHFFFAOYSA-N
XLogP4.57
TPSA75.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline?
The IUPAC name of N-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline (CID 135928482) is N-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline.
What is the SMILES notation for N-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline?
The canonical SMILES for N-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline is CNc1ccc(-c2ccc3c(-c4nc5c(N6CCN(C)CC6)cccc5[nH]4)n[nH]c3c2)cc1.
What is the InChIKey of N-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline?
The InChIKey is MAARHZWIPNUTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7/c1-27-19-9-6-17(7-10-19)18-8-11-20-22(16-18)30-31-24(20)26-28-21-4-3-5-23(25(21)29-26)33-14-12-32(2)13-15-33/h3-11,16,27H,12-15H2,1-2H3,(H,28,29)(H,30,31).
What are the key properties of N-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline?
N-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline has a molecular weight of 437.55 g/mol, XLogP of 4.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]aniline is sourced from PubChem (CID 135928482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).