3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole

C21H24N6 — CID 135820455

IUPAC3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
SMILESCCN1CCN(c2ccc3nc(-c4n[nH]c5ccc(C)cc45)[nH]c3c2)CC1
InChIInChI=1S/C21H24N6/c1-3-26-8-10-27(11-9-26)15-5-7-18-19(13-15)23-21(22-18)20-16-12-14(2)4-6-17(16)24-25-20/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyFOXVAKVBQWERTD-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.56
Rot. Bonds3

About 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole

3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole (PubChem CID 135820455) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole.

Molecular Properties

Compound Name3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
PubChem CID135820455
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC Name3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
SMILESCCN1CCN(c2ccc3nc(-c4n[nH]c5ccc(C)cc45)[nH]c3c2)CC1
InChIInChI=1S/C21H24N6/c1-3-26-8-10-27(11-9-26)15-5-7-18-19(13-15)23-21(22-18)20-16-12-14(2)4-6-17(16)24-25-20/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyFOXVAKVBQWERTD-UHFFFAOYSA-N
XLogP3.56
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820201
2-(5-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 135820313
2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820212
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile
CID 135820452
2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole
CID 135820166
2-[6-(methoxymethyl)-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820161
N-[(3,4-dimethoxyphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-amine
CID 135819915
1-[4-[2-(6-chloro-1H-indazol-3-yl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanone
CID 135819874
1-[4-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-1-methylpiperazin-2-yl]-N,N-dimethylmethanamine
CID 154053542
1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 135820363
2-[[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]oxy]pyridine-3-carbonitrile
CID 135820485
6-(4-ethylpiperazin-1-yl)-2-(4-methoxycyclohexa-1,5-dien-1-yl)-1H-benzimidazole
CID 143070937

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole?
The IUPAC name of 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole (CID 135820455) is 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole.
What is the SMILES notation for 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole?
The canonical SMILES for 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole is CCN1CCN(c2ccc3nc(-c4n[nH]c5ccc(C)cc45)[nH]c3c2)CC1.
What is the InChIKey of 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole?
The InChIKey is FOXVAKVBQWERTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-3-26-8-10-27(11-9-26)15-5-7-18-19(13-15)23-21(22-18)20-16-12-14(2)4-6-17(16)24-25-20/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole?
3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole has a molecular weight of 360.47 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole is sourced from PubChem (CID 135820455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).