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

C18H24N6 — CID 165428343

IUPAC2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCc1cc(N2CCN(C)CC2)cc2[nH]c(-c3cnn(C)c3C)nc12
InChIInChI=1S/C18H24N6/c1-12-9-14(24-7-5-22(3)6-8-24)10-16-17(12)21-18(20-16)15-11-19-23(4)13(15)2/h9-11H,5-8H2,1-4H3,(H,20,21)
InChIKeyQFRGNCIYIZCTEZ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.33
Rot. Bonds2

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

2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 165428343) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
PubChem CID165428343
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCc1cc(N2CCN(C)CC2)cc2[nH]c(-c3cnn(C)c3C)nc12
InChIInChI=1S/C18H24N6/c1-12-9-14(24-7-5-22(3)6-8-24)10-16-17(12)21-18(20-16)15-11-19-23(4)13(15)2/h9-11H,5-8H2,1-4H3,(H,20,21)
InChIKeyQFRGNCIYIZCTEZ-UHFFFAOYSA-N
XLogP2.33
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-6-(4-methylpiperazin-1-yl)-2-(1H-pyrrol-2-yl)-1H-benzimidazole
CID 165421492
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-pyridin-2-yl-1H-benzimidazole
CID 165428070
4-methyl-6-(4-methylpiperazin-1-yl)-2-(3-propan-2-ylimidazol-4-yl)-1H-benzimidazole
CID 165428738
2-(furan-2-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
CID 165417668
3-methoxy-4-[4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenol
CID 165419779
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
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-(1-pyridin-2-ylpyrrol-2-yl)-1H-benzimidazole
CID 165428770
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

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (CID 165428343) is 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole is Cc1cc(N2CCN(C)CC2)cc2[nH]c(-c3cnn(C)c3C)nc12.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is QFRGNCIYIZCTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-12-9-14(24-7-5-22(3)6-8-24)10-16-17(12)21-18(20-16)15-11-19-23(4)13(15)2/h9-11H,5-8H2,1-4H3,(H,20,21).
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 324.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-4-methyl-6-(4-methylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 165428343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).