1-methyl-2-piperazin-1-ylbenzimidazole

C12H16N4 — CID 667551

IUPAC1-methyl-2-piperazin-1-ylbenzimidazole
SMILESCn1c(N2CCNCC2)nc2ccccc21
InChIInChI=1S/C12H16N4/c1-15-11-5-3-2-4-10(11)14-12(15)16-8-6-13-7-9-16/h2-5,13H,6-9H2,1H3
InChIKeyXBTIVKKHGCXLGP-UHFFFAOYSA-N
MW216.29 g/mol
LogP0.98
Rot. Bonds1

About 1-methyl-2-piperazin-1-ylbenzimidazole

1-methyl-2-piperazin-1-ylbenzimidazole (PubChem CID 667551) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 1-methyl-2-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-methyl-2-piperazin-1-ylbenzimidazole
PubChem CID667551
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name1-methyl-2-piperazin-1-ylbenzimidazole
SMILESCn1c(N2CCNCC2)nc2ccccc21
InChIInChI=1S/C12H16N4/c1-15-11-5-3-2-4-10(11)14-12(15)16-8-6-13-7-9-16/h2-5,13H,6-9H2,1H3
InChIKeyXBTIVKKHGCXLGP-UHFFFAOYSA-N
XLogP0.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-methyl-2-piperazin-1-ylbenzimidazole (CID 667551) is 1-methyl-2-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-methyl-2-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-methyl-2-piperazin-1-ylbenzimidazole is Cn1c(N2CCNCC2)nc2ccccc21.
What is the InChIKey of 1-methyl-2-piperazin-1-ylbenzimidazole?
The InChIKey is XBTIVKKHGCXLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-15-11-5-3-2-4-10(11)14-12(15)16-8-6-13-7-9-16/h2-5,13H,6-9H2,1H3.
What are the key properties of 1-methyl-2-piperazin-1-ylbenzimidazole?
1-methyl-2-piperazin-1-ylbenzimidazole has a molecular weight of 216.29 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 667551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).