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

C17H21N5 — CID 165421492

IUPAC4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
SMILESCc1cc(N2CCN(C)CC2)cc2[nH]c(-c3ccc[nH]3)nc12
InChIInChI=1S/C17H21N5/c1-12-10-13(22-8-6-21(2)7-9-22)11-15-16(12)20-17(19-15)14-4-3-5-18-14/h3-5,10-11,18H,6-9H2,1-2H3,(H,19,20)
InChIKeyKZGRYQHALPLDAX-UHFFFAOYSA-N
MW295.39 g/mol
LogP2.62
Rot. Bonds2

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

4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole (PubChem CID 165421492) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
PubChem CID165421492
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
SMILESCc1cc(N2CCN(C)CC2)cc2[nH]c(-c3ccc[nH]3)nc12
InChIInChI=1S/C17H21N5/c1-12-10-13(22-8-6-21(2)7-9-22)11-15-16(12)20-17(19-15)14-4-3-5-18-14/h3-5,10-11,18H,6-9H2,1-2H3,(H,19,20)
InChIKeyKZGRYQHALPLDAX-UHFFFAOYSA-N
XLogP2.62
TPSA50.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 165417668
4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole
CID 165428070
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
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
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-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole
CID 165428770
3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
CID 165419779
3-[2-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]pyrrol-1-yl]benzonitrile
CID 165428195
4-methyl-6-(4-methylpiperazin-1-yl)-2-[5-(oxan-2-yl)furan-2-yl]-1H-benzimidazole
CID 164694130
formic acid;4-methoxy-3-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
CID 171322423

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole?
The IUPAC name of 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole (CID 165421492) is 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole.
What is the SMILES notation for 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole?
The canonical SMILES for 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole is Cc1cc(N2CCN(C)CC2)cc2[nH]c(-c3ccc[nH]3)nc12.
What is the InChIKey of 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole?
The InChIKey is KZGRYQHALPLDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5/c1-12-10-13(22-8-6-21(2)7-9-22)11-15-16(12)20-17(19-15)14-4-3-5-18-14/h3-5,10-11,18H,6-9H2,1-2H3,(H,19,20).
What are the key properties of 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole?
4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole has a molecular weight of 295.39 g/mol, XLogP of 2.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole is sourced from PubChem (CID 165421492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).