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

C25H30N6 — CID 135820201

IUPAC3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
SMILESCc1ccc2[nH]nc(-c3nc4ccc(N5CCN(C6CCCCC6)CC5)cc4[nH]3)c2c1
InChIInChI=1S/C25H30N6/c1-17-7-9-21-20(15-17)24(29-28-21)25-26-22-10-8-19(16-23(22)27-25)31-13-11-30(12-14-31)18-5-3-2-4-6-18/h7-10,15-16,18H,2-6,11-14H2,1H3,(H,26,27)(H,28,29)
InChIKeyGUAXUXSJEIHRRH-UHFFFAOYSA-N
MW414.56 g/mol
LogP4.87
Rot. Bonds3

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

3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole (PubChem CID 135820201) has the molecular formula C25H30N6 and a molecular weight of 414.56 g/mol. Its IUPAC name is 3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole.

Molecular Properties

Compound Name3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
PubChem CID135820201
Molecular FormulaC25H30N6
Molecular Weight414.56 g/mol
Exact Mass414.25
IUPAC Name3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
SMILESCc1ccc2[nH]nc(-c3nc4ccc(N5CCN(C6CCCCC6)CC5)cc4[nH]3)c2c1
InChIInChI=1S/C25H30N6/c1-17-7-9-21-20(15-17)24(29-28-21)25-26-22-10-8-19(16-23(22)27-25)31-13-11-30(12-14-31)18-5-3-2-4-6-18/h7-10,15-16,18H,2-6,11-14H2,1H3,(H,26,27)(H,28,29)
InChIKeyGUAXUXSJEIHRRH-UHFFFAOYSA-N
XLogP4.87
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.56
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole
CID 135820166
3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820455
2-[5-[(3,5-dichloro-4-pyridinyl)methoxy]-1H-indazol-3-yl]-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 137133151
2-(4-methoxy-1H-indazol-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazole
CID 135820292
1-(2,4-dimethoxyphenyl)-3-[3-[6-(4-piperidin-1-ylpiperidin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]urea
CID 135820095
1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 135820363
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-ethoxy-1H-indazol-3-yl)-6-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 135820313
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
1-[4-[2-(6-chloro-1H-indazol-3-yl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanone
CID 135819874
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 3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole?
The IUPAC name of 3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole (CID 135820201) is 3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole.
What is the SMILES notation for 3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole?
The canonical SMILES for 3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole is Cc1ccc2[nH]nc(-c3nc4ccc(N5CCN(C6CCCCC6)CC5)cc4[nH]3)c2c1.
What is the InChIKey of 3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole?
The InChIKey is GUAXUXSJEIHRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6/c1-17-7-9-21-20(15-17)24(29-28-21)25-26-22-10-8-19(16-23(22)27-25)31-13-11-30(12-14-31)18-5-3-2-4-6-18/h7-10,15-16,18H,2-6,11-14H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole?
3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole has a molecular weight of 414.56 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole is sourced from PubChem (CID 135820201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).