3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one

C21H20N4O2 — CID 59784658

IUPAC3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one
SMILESCN1CCN(c2ccc3nc(-c4coc5ccccc5c4=O)[nH]c3c2)CC1
InChIInChI=1S/C21H20N4O2/c1-24-8-10-25(11-9-24)14-6-7-17-18(12-14)23-21(22-17)16-13-27-19-5-3-2-4-15(19)20(16)26/h2-7,12-13H,8-11H2,1H3,(H,22,23)
InChIKeyXHVBAINCSVBTGT-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.09
Rot. Bonds2

About 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one

3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one (PubChem CID 59784658) has the molecular formula C21H20N4O2 and a molecular weight of 360.42 g/mol. Its IUPAC name is 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one.

Molecular Properties

Compound Name3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one
PubChem CID59784658
Molecular FormulaC21H20N4O2
Molecular Weight360.42 g/mol
Exact Mass360.16
IUPAC Name3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one
SMILESCN1CCN(c2ccc3nc(-c4coc5ccccc5c4=O)[nH]c3c2)CC1
InChIInChI=1S/C21H20N4O2/c1-24-8-10-25(11-9-24)14-6-7-17-18(12-14)23-21(22-17)16-13-27-19-5-3-2-4-15(19)20(16)26/h2-7,12-13H,8-11H2,1H3,(H,22,23)
InChIKeyXHVBAINCSVBTGT-UHFFFAOYSA-N
XLogP3.09
TPSA65.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one 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 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one?
The IUPAC name of 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one (CID 59784658) is 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one.
What is the SMILES notation for 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one?
The canonical SMILES for 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one is CN1CCN(c2ccc3nc(-c4coc5ccccc5c4=O)[nH]c3c2)CC1.
What is the InChIKey of 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one?
The InChIKey is XHVBAINCSVBTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2/c1-24-8-10-25(11-9-24)14-6-7-17-18(12-14)23-21(22-17)16-13-27-19-5-3-2-4-15(19)20(16)26/h2-7,12-13H,8-11H2,1H3,(H,22,23).
What are the key properties of 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one?
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one has a molecular weight of 360.42 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one is sourced from PubChem (CID 59784658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).