3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one

C21H24N4O — CID 17446698

IUPAC3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1nc2ccccc2[nH]1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N4O/c26-21(11-10-20-22-18-8-4-5-9-19(18)23-20)25-14-12-24(13-15-25)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,23)
InChIKeyDMCKFBSWIUWPPH-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.84
Rot. Bonds5

About 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one

3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one (PubChem CID 17446698) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
PubChem CID17446698
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one
SMILESO=C(CCc1nc2ccccc2[nH]1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H24N4O/c26-21(11-10-20-22-18-8-4-5-9-19(18)23-20)25-14-12-24(13-15-25)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,23)
InChIKeyDMCKFBSWIUWPPH-UHFFFAOYSA-N
XLogP2.84
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-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

3-(1H-benzimidazol-2-yl)-1-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 17468527
3-(1H-benzimidazol-2-yl)-1-pyrrolidin-1-ylpropan-1-one
CID 18145539
3-(1H-benzimidazol-2-yl)-1-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]propan-1-one
CID 55849763
3-(1H-benzimidazol-2-yl)-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 134714693
3-(1H-benzimidazol-2-yl)-1-[(3R,4S)-3-benzyl-4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 134700026
1-[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]ethanone;oxalic acid
CID 121074357
3-(1H-benzimidazol-2-yl)-1-(3-methylpiperazin-1-yl)propan-1-one
CID 154735503
3-(1H-benzimidazol-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 17492856
3-(1H-benzimidazol-2-yl)-1-[4-(pyridin-3-ylmethoxy)piperidin-1-yl]propan-1-one
CID 70764362
4-(1H-benzimidazol-2-yl)-N-(3-oxo-3-pyrrolidin-1-ylpropyl)butanamide
CID 46411465
3-(1H-benzimidazol-2-yl)-1-[(3S)-3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 125008568
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one (CID 17446698) is 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one is O=C(CCc1nc2ccccc2[nH]1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one?
The InChIKey is DMCKFBSWIUWPPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c26-21(11-10-20-22-18-8-4-5-9-19(18)23-20)25-14-12-24(13-15-25)16-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,22,23).
What are the key properties of 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one?
3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one has a molecular weight of 348.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-1-(4-benzylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 17446698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).