1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole

C13H18N4 — CID 2773179

IUPAC1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole
SMILESCN1CCN(c2nc3ccccc3n2C)CC1
InChIInChI=1S/C13H18N4/c1-15-7-9-17(10-8-15)13-14-11-5-3-4-6-12(11)16(13)2/h3-6H,7-10H2,1-2H3
InChIKeyKYHFKHHSWWARSJ-UHFFFAOYSA-N
MW230.32 g/mol
LogP1.33
Rot. Bonds1

About 1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole

1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole (PubChem CID 2773179) has the molecular formula C13H18N4 and a molecular weight of 230.32 g/mol. Its IUPAC name is 1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole.

Molecular Properties

Compound Name1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole
PubChem CID2773179
Molecular FormulaC13H18N4
Molecular Weight230.32 g/mol
Exact Mass230.15
IUPAC Name1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole
SMILESCN1CCN(c2nc3ccccc3n2C)CC1
InChIInChI=1S/C13H18N4/c1-15-7-9-17(10-8-15)13-14-11-5-3-4-6-12(11)16(13)2/h3-6H,7-10H2,1-2H3
InChIKeyKYHFKHHSWWARSJ-UHFFFAOYSA-N
XLogP1.33
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole?
The IUPAC name of 1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole (CID 2773179) is 1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole.
What is the SMILES notation for 1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole?
The canonical SMILES for 1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole is CN1CCN(c2nc3ccccc3n2C)CC1.
What is the InChIKey of 1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole?
The InChIKey is KYHFKHHSWWARSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-15-7-9-17(10-8-15)13-14-11-5-3-4-6-12(11)16(13)2/h3-6H,7-10H2,1-2H3.
What are the key properties of 1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole?
1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole has a molecular weight of 230.32 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-methylpiperazin-1-yl)benzimidazole is sourced from PubChem (CID 2773179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).