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

C18H21N5 — CID 165428070

IUPAC4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole
SMILESCc1cc(N2CCN(C)CC2)cc2[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C18H21N5/c1-13-11-14(23-9-7-22(2)8-10-23)12-16-17(13)21-18(20-16)15-5-3-4-6-19-15/h3-6,11-12H,7-10H2,1-2H3,(H,20,21)
InChIKeyIDPLWUATOHGMSH-UHFFFAOYSA-N
MW307.40 g/mol
LogP2.69
Rot. Bonds2

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

4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole (PubChem CID 165428070) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole
PubChem CID165428070
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole
SMILESCc1cc(N2CCN(C)CC2)cc2[nH]c(-c3ccccn3)nc12
InChIInChI=1S/C18H21N5/c1-13-11-14(23-9-7-22(2)8-10-23)12-16-17(13)21-18(20-16)15-5-3-4-6-19-15/h3-6,11-12H,7-10H2,1-2H3,(H,20,21)
InChIKeyIDPLWUATOHGMSH-UHFFFAOYSA-N
XLogP2.69
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(4-methylpiperazin-1-yl)-2-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole
CID 165428770
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
2-(2,3-dimethylimidazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 164698994
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
4-methyl-6-(4-methylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)-1H-benzimidazole
CID 165428738
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-pyridin-2-yl-1H-benzimidazole?
The IUPAC name of 4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole (CID 165428070) is 4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole.
What is the SMILES notation for 4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole?
The canonical SMILES for 4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole is Cc1cc(N2CCN(C)CC2)cc2[nH]c(-c3ccccn3)nc12.
What is the InChIKey of 4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole?
The InChIKey is IDPLWUATOHGMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13-11-14(23-9-7-22(2)8-10-23)12-16-17(13)21-18(20-16)15-5-3-4-6-19-15/h3-6,11-12H,7-10H2,1-2H3,(H,20,21).
What are the key properties of 4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole?
4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole has a molecular weight of 307.40 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylpiperazin-1-yl)-2-pyridin-2-yl-1H-benzimidazole is sourced from PubChem (CID 165428070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).