4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole

C22H24N6 — CID 165428770

IUPAC4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole
SMILESCc1cc(N2CCN(C)CC2)cc2[nH]c(-c3cccn3-c3ccccn3)nc12
InChIInChI=1S/C22H24N6/c1-16-14-17(27-12-10-26(2)11-13-27)15-18-21(16)25-22(24-18)19-6-5-9-28(19)20-7-3-4-8-23-20/h3-9,14-15H,10-13H2,1-2H3,(H,24,25)
InChIKeyZULGCNDQYLMSQH-UHFFFAOYSA-N
MW372.48 g/mol
LogP3.48
Rot. Bonds3

About 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole

4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole (PubChem CID 165428770) has the molecular formula C22H24N6 and a molecular weight of 372.48 g/mol. Its IUPAC name is 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole
PubChem CID165428770
Molecular FormulaC22H24N6
Molecular Weight372.48 g/mol
Exact Mass372.21
IUPAC Name4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole
SMILESCc1cc(N2CCN(C)CC2)cc2[nH]c(-c3cccn3-c3ccccn3)nc12
InChIInChI=1S/C22H24N6/c1-16-14-17(27-12-10-26(2)11-13-27)15-18-21(16)25-22(24-18)19-6-5-9-28(19)20-7-3-4-8-23-20/h3-9,14-15H,10-13H2,1-2H3,(H,24,25)
InChIKeyZULGCNDQYLMSQH-UHFFFAOYSA-N
XLogP3.48
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole
CID 165428070
3-[2-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrol-1-yl]benzonitrile
CID 165428195
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-(1H-pyrrol-2-yl)-1H-benzimidazole
CID 165421492
2-(furan-2-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 165417668
4-methyl-6-(4-methylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)-1H-benzimidazole
CID 165428738
2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 165428343
2-(1,3-benzodioxol-5-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 165426258
2-[4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenyl]ethanamine
CID 165428200
3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
CID 165419779
formic acid;4-methoxy-3-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
CID 171322423
4-methyl-6-(4-methylpiperazin-1-yl)-2-[5-(oxan-2-yl)furan-2-yl]-1H-benzimidazole
CID 164694130

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole?
The IUPAC name of 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole (CID 165428770) is 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole?
The canonical SMILES for 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole is Cc1cc(N2CCN(C)CC2)cc2[nH]c(-c3cccn3-c3ccccn3)nc12.
What is the InChIKey of 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole?
The InChIKey is ZULGCNDQYLMSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6/c1-16-14-17(27-12-10-26(2)11-13-27)15-18-21(16)25-22(24-18)19-6-5-9-28(19)20-7-3-4-8-23-20/h3-9,14-15H,10-13H2,1-2H3,(H,24,25).
What are the key properties of 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole?
4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole has a molecular weight of 372.48 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 165428770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).