3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one

C21H23F2N3O — CID 102281870

IUPAC3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CC(F)(F)Cc2ccccc2)CC1
InChIInChI=1S/C21H23F2N3O/c22-21(23,14-16-6-2-1-3-7-16)15-25-12-10-17(11-13-25)26-19-9-5-4-8-18(19)24-20(26)27/h1-9,17H,10-15H2,(H,24,27)
InChIKeyFVGAAAAIITVOID-UHFFFAOYSA-N
MW371.43 g/mol
LogP3.84
Rot. Bonds5

About 3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 102281870) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is 3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID102281870
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC Name3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CC(F)(F)Cc2ccccc2)CC1
InChIInChI=1S/C21H23F2N3O/c22-21(23,14-16-6-2-1-3-7-16)15-25-12-10-17(11-13-25)26-19-9-5-4-8-18(19)24-20(26)27/h1-9,17H,10-15H2,(H,24,27)
InChIKeyFVGAAAAIITVOID-UHFFFAOYSA-N
XLogP3.84
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-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

3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
3-[1-[2-(dibenzylamino)-2-methylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 68719751
2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 57054370
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600
3-[1-[(2-methylcyclopropyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968394
3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 60531984
3-(1-benzylpiperidin-4-yl)-5-fluoro-1H-benzimidazol-2-one
CID 139785932
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
benzyl 4-(2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylate
CID 59578112
3-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968501
3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12763869
N-[(3,5-difluorophenyl)methyl]-2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]acetamide
CID 60504483

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 102281870) is 3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(CC(F)(F)Cc2ccccc2)CC1.
What is the InChIKey of 3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is FVGAAAAIITVOID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O/c22-21(23,14-16-6-2-1-3-7-16)15-25-12-10-17(11-13-25)26-19-9-5-4-8-18(19)24-20(26)27/h1-9,17H,10-15H2,(H,24,27).
What are the key properties of 3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 371.43 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 102281870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).