2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone

C14H18N4O — CID 645795

IUPAC2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H18N4O/c1-17-6-8-18(9-7-17)14(19)10-13-15-11-4-2-3-5-12(11)16-13/h2-5H,6-10H2,1H3,(H,15,16)
InChIKeyDLQFXQXOPWYPBX-UHFFFAOYSA-N
MW258.32 g/mol
LogP0.88
Rot. Bonds2

About 2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone

2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 645795) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID645795
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCN1CCN(C(=O)Cc2nc3ccccc3[nH]2)CC1
InChIInChI=1S/C14H18N4O/c1-17-6-8-18(9-7-17)14(19)10-13-15-11-4-2-3-5-12(11)16-13/h2-5H,6-10H2,1H3,(H,15,16)
InChIKeyDLQFXQXOPWYPBX-UHFFFAOYSA-N
XLogP0.88
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone 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 2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone (CID 645795) is 2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone is CN1CCN(C(=O)Cc2nc3ccccc3[nH]2)CC1.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is DLQFXQXOPWYPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-6-8-18(9-7-17)14(19)10-13-15-11-4-2-3-5-12(11)16-13/h2-5H,6-10H2,1H3,(H,15,16).
What are the key properties of 2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 258.32 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 645795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).