3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol

C20H22N6O — CID 135820183

IUPAC3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol
SMILESCC1CN(C)CCN1c1ccc2nc(-c3n[nH]c4ccc(O)cc34)[nH]c2c1
InChIInChI=1S/C20H22N6O/c1-12-11-25(2)7-8-26(12)13-3-5-17-18(9-13)22-20(21-17)19-15-10-14(27)4-6-16(15)23-24-19/h3-6,9-10,12,27H,7-8,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyQHNRTKKOGKHPEM-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.95
Rot. Bonds2

About 3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol

3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol (PubChem CID 135820183) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is 3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol.

Molecular Properties

Compound Name3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol
PubChem CID135820183
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC Name3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol
SMILESCC1CN(C)CCN1c1ccc2nc(-c3n[nH]c4ccc(O)cc34)[nH]c2c1
InChIInChI=1S/C20H22N6O/c1-12-11-25(2)7-8-26(12)13-3-5-17-18(9-13)22-20(21-17)19-15-10-14(27)4-6-16(15)23-24-19/h3-6,9-10,12,27H,7-8,11H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyQHNRTKKOGKHPEM-UHFFFAOYSA-N
XLogP2.95
TPSA84.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820212
3-[6-(4-ethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820455
2-[6-(methoxymethyl)-1H-indazol-3-yl]-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 135820161
1-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-N,N-dimethylpyrrolidin-3-amine
CID 135820363
3-[6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazol-2-yl]-5-methyl-1H-indazole
CID 135820201
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazole-6-carbonitrile
CID 135820452
1-[4-[2-(5-methoxy-1H-indazol-3-yl)-3H-benzimidazol-5-yl]-1-methylpiperazin-2-yl]-N,N-dimethylmethanamine
CID 154053542
N-[(3,4-dimethoxyphenyl)methyl]-3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-amine
CID 135819915
2-(5-bromo-1H-indazol-3-yl)-6-(4-cyclohexylpiperazin-1-yl)-1H-benzimidazole
CID 135820166
2-[[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]oxy]pyridine-3-carbonitrile
CID 135820485
1-[4-[2-(6-chloro-1H-indazol-3-yl)-3H-benzimidazol-5-yl]piperazin-1-yl]ethanone
CID 135819874
2-(1H-indazol-3-yl)-N-methyl-N-(1-methylpiperidin-4-yl)-3H-benzimidazol-5-amine
CID 135820141

Frequently Asked Questions

What is the IUPAC name of 3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol?
The IUPAC name of 3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol (CID 135820183) is 3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol.
What is the SMILES notation for 3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol?
The canonical SMILES for 3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol is CC1CN(C)CCN1c1ccc2nc(-c3n[nH]c4ccc(O)cc34)[nH]c2c1.
What is the InChIKey of 3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol?
The InChIKey is QHNRTKKOGKHPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-12-11-25(2)7-8-26(12)13-3-5-17-18(9-13)22-20(21-17)19-15-10-14(27)4-6-16(15)23-24-19/h3-6,9-10,12,27H,7-8,11H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol?
3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol has a molecular weight of 362.44 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(2,4-dimethylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-ol is sourced from PubChem (CID 135820183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).