2-methyl-6-piperazin-1-yl-1H-benzimidazole

C12H16N4 — CID 20580687

IUPAC2-methyl-6-piperazin-1-yl-1H-benzimidazole
SMILESCc1nc2ccc(N3CCNCC3)cc2[nH]1
InChIInChI=1S/C12H16N4/c1-9-14-11-3-2-10(8-12(11)15-9)16-6-4-13-5-7-16/h2-3,8,13H,4-7H2,1H3,(H,14,15)
InChIKeyYNKZALSKSVXONN-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.28
Rot. Bonds1

About 2-methyl-6-piperazin-1-yl-1H-benzimidazole

2-methyl-6-piperazin-1-yl-1H-benzimidazole (PubChem CID 20580687) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-methyl-6-piperazin-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-6-piperazin-1-yl-1H-benzimidazole
PubChem CID20580687
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-methyl-6-piperazin-1-yl-1H-benzimidazole
SMILESCc1nc2ccc(N3CCNCC3)cc2[nH]1
InChIInChI=1S/C12H16N4/c1-9-14-11-3-2-10(8-12(11)15-9)16-6-4-13-5-7-16/h2-3,8,13H,4-7H2,1H3,(H,14,15)
InChIKeyYNKZALSKSVXONN-UHFFFAOYSA-N
XLogP1.28
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(4-methylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643427
2-methyl-6-(1-piperazin-1-ylethyl)-1H-benzimidazole
CID 82497698
2-methyl-6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1H-benzimidazole
CID 110643432
2-(4-fluorophenyl)-1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]ethanone
CID 110643384
2-methyl-N-(piperazin-1-ylmethyl)-3H-benzimidazol-5-amine
CID 115229809
2-methyl-6-piperazin-1-ylquinoxaline
CID 117275288
(3,4-dimethylphenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643379
4-[6-(6-piperazin-1-yl-1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenol;trihydrochloride
CID 159203040
3-[4-(2-methyl-3H-benzimidazol-5-yl)piperazine-1-carbonyl]benzonitrile
CID 110643372
2-methyl-6-(4-thiophen-2-ylsulfonylpiperazin-1-yl)-1H-benzimidazole
CID 110643444
(3-bromophenyl)-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]methanone
CID 110643369
1-[4-(2-methyl-3H-benzimidazol-5-yl)piperazin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110643422

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-piperazin-1-yl-1H-benzimidazole?
The IUPAC name of 2-methyl-6-piperazin-1-yl-1H-benzimidazole (CID 20580687) is 2-methyl-6-piperazin-1-yl-1H-benzimidazole.
What is the SMILES notation for 2-methyl-6-piperazin-1-yl-1H-benzimidazole?
The canonical SMILES for 2-methyl-6-piperazin-1-yl-1H-benzimidazole is Cc1nc2ccc(N3CCNCC3)cc2[nH]1.
What is the InChIKey of 2-methyl-6-piperazin-1-yl-1H-benzimidazole?
The InChIKey is YNKZALSKSVXONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-14-11-3-2-10(8-12(11)15-9)16-6-4-13-5-7-16/h2-3,8,13H,4-7H2,1H3,(H,14,15).
What are the key properties of 2-methyl-6-piperazin-1-yl-1H-benzimidazole?
2-methyl-6-piperazin-1-yl-1H-benzimidazole has a molecular weight of 216.29 g/mol, XLogP of 1.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-piperazin-1-yl-1H-benzimidazole is sourced from PubChem (CID 20580687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).