5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one

C13H16N4O — CID 82385685

IUPAC5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)NC(c2ccc3nc[nH]c3c2)CNC1=O
InChIInChI=1S/C13H16N4O/c1-13(2)12(18)14-6-11(17-13)8-3-4-9-10(5-8)16-7-15-9/h3-5,7,11,17H,6H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyRLFBSBKLJPUWBU-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.10
Rot. Bonds1

About 5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one

5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one (PubChem CID 82385685) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one.

Molecular Properties

Compound Name5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one
PubChem CID82385685
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one
SMILESCC1(C)NC(c2ccc3nc[nH]c3c2)CNC1=O
InChIInChI=1S/C13H16N4O/c1-13(2)12(18)14-6-11(17-13)8-3-4-9-10(5-8)16-7-15-9/h3-5,7,11,17H,6H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyRLFBSBKLJPUWBU-UHFFFAOYSA-N
XLogP1.10
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

6-[(2S)-pyrrolidin-2-yl]-1H-benzimidazole
CID 96670413
2-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]acetic acid
CID 116979486
3-[4-(3H-benzimidazol-5-yl)-2-oxoimidazolidin-1-yl]propanenitrile
CID 116980277
3-(3H-benzimidazol-5-yl)-6-bromo-3,4-dihydro-2H-1,4-benzoxazine
CID 116837310
4-(3H-benzimidazol-5-yl)-1-ethyl-3-methylimidazolidin-2-one
CID 116983068
1-(3H-benzimidazol-5-yl)-5-tert-butylimidazolidin-2-one
CID 51030777
silver 6-nitro-1H-benzimidazole
CID 19981768
4-(3H-benzimidazol-5-yl)-1-(2-hydroxyethyl)-3-methylimidazolidin-2-one
CID 116981956
potassium;6-nitro-1H-benzimidazole;bromide
CID 159548284
6-(1-tert-butylcyclopropyl)-1H-benzimidazole
CID 118329254
2-[4-(3H-benzimidazol-5-yl)piperidin-1-yl]-N-methylethanamine
CID 58730699
1-(3H-benzimidazol-5-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 83711577

Frequently Asked Questions

What is the IUPAC name of 5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one?
The IUPAC name of 5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one (CID 82385685) is 5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one.
What is the SMILES notation for 5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one?
The canonical SMILES for 5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one is CC1(C)NC(c2ccc3nc[nH]c3c2)CNC1=O.
What is the InChIKey of 5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one?
The InChIKey is RLFBSBKLJPUWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-13(2)12(18)14-6-11(17-13)8-3-4-9-10(5-8)16-7-15-9/h3-5,7,11,17H,6H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one?
5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one has a molecular weight of 244.30 g/mol, XLogP of 1.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3H-benzimidazol-5-yl)-3,3-dimethylpiperazin-2-one is sourced from PubChem (CID 82385685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).