2-methyl-4-piperazin-1-yl-1H-benzimidazole

C12H16N4 — CID 13180225

IUPAC2-methyl-4-piperazin-1-yl-1H-benzimidazole
SMILESCc1nc2c(N3CCNCC3)cccc2[nH]1
InChIInChI=1S/C12H16N4/c1-9-14-10-3-2-4-11(12(10)15-9)16-7-5-13-6-8-16/h2-4,13H,5-8H2,1H3,(H,14,15)
InChIKeyPFLVUJPQDPAFRV-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.28
Rot. Bonds1

About 2-methyl-4-piperazin-1-yl-1H-benzimidazole

2-methyl-4-piperazin-1-yl-1H-benzimidazole (PubChem CID 13180225) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-methyl-4-piperazin-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-methyl-4-piperazin-1-yl-1H-benzimidazole
PubChem CID13180225
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-methyl-4-piperazin-1-yl-1H-benzimidazole
SMILESCc1nc2c(N3CCNCC3)cccc2[nH]1
InChIInChI=1S/C12H16N4/c1-9-14-10-3-2-4-11(12(10)15-9)16-7-5-13-6-8-16/h2-4,13H,5-8H2,1H3,(H,14,15)
InChIKeyPFLVUJPQDPAFRV-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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-piperazin-1-yl-1H-benzimidazole?
The IUPAC name of 2-methyl-4-piperazin-1-yl-1H-benzimidazole (CID 13180225) is 2-methyl-4-piperazin-1-yl-1H-benzimidazole.
What is the SMILES notation for 2-methyl-4-piperazin-1-yl-1H-benzimidazole?
The canonical SMILES for 2-methyl-4-piperazin-1-yl-1H-benzimidazole is Cc1nc2c(N3CCNCC3)cccc2[nH]1.
What is the InChIKey of 2-methyl-4-piperazin-1-yl-1H-benzimidazole?
The InChIKey is PFLVUJPQDPAFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-14-10-3-2-4-11(12(10)15-9)16-7-5-13-6-8-16/h2-4,13H,5-8H2,1H3,(H,14,15).
What are the key properties of 2-methyl-4-piperazin-1-yl-1H-benzimidazole?
2-methyl-4-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-4-piperazin-1-yl-1H-benzimidazole is sourced from PubChem (CID 13180225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).