2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole

C20H22N4O2 — CID 165426258

IUPAC2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCc1cc(N2CCN(C)CC2)cc2[nH]c(-c3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C20H22N4O2/c1-13-9-15(24-7-5-23(2)6-8-24)11-16-19(13)22-20(21-16)14-3-4-17-18(10-14)26-12-25-17/h3-4,9-11H,5-8,12H2,1-2H3,(H,21,22)
InChIKeyILGKWGSOKCIPGR-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.02
Rot. Bonds2

About 2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole

2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 165426258) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
PubChem CID165426258
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCc1cc(N2CCN(C)CC2)cc2[nH]c(-c3ccc4c(c3)OCO4)nc12
InChIInChI=1S/C20H22N4O2/c1-13-9-15(24-7-5-23(2)6-8-24)11-16-19(13)22-20(21-16)14-3-4-17-18(10-14)26-12-25-17/h3-4,9-11H,5-8,12H2,1-2H3,(H,21,22)
InChIKeyILGKWGSOKCIPGR-UHFFFAOYSA-N
XLogP3.02
TPSA53.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(1,3-benzodioxol-5-yl)-4-methyl-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

2-[4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenyl]ethanamine
CID 165428200
2-(furan-2-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 165417668
formic acid;2-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
CID 166598221
4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
CID 165421492
4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole
CID 165428070
2-(1,3-benzodioxol-5-yl)-6-[6-(4-methylpiperazin-1-yl)-3H-indol-2-yl]-1H-benzimidazole
CID 161227542
2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 165428343
2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 164698994
4-methyl-6-(4-methylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)-1H-benzimidazole
CID 165428738
4-methyl-6-(4-methylpiperazin-1-yl)-2-[5-(oxan-2-yl)furan-2-yl]-1H-benzimidazole
CID 164694130
3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
CID 165419779
4-[3-(4-methyl-1H-benzimidazol-2-yl)phenyl]morpholine
CID 103597251

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (CID 165426258) is 2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole is Cc1cc(N2CCN(C)CC2)cc2[nH]c(-c3ccc4c(c3)OCO4)nc12.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is ILGKWGSOKCIPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-9-15(24-7-5-23(2)6-8-24)11-16-19(13)22-20(21-16)14-3-4-17-18(10-14)26-12-25-17/h3-4,9-11H,5-8,12H2,1-2H3,(H,21,22).
What are the key properties of 2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 350.42 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 165426258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).