3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one

C21H25FN4O — CID 172968540

IUPAC3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CCCNc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4O/c22-16-6-8-17(9-7-16)23-12-3-13-25-14-10-18(11-15-25)26-20-5-2-1-4-19(20)24-21(26)27/h1-2,4-9,18,23H,3,10-15H2,(H,24,27)
InChIKeyAEGVEGPFHZOSNG-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.61
Rot. Bonds6

About 3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 172968540) has the molecular formula C21H25FN4O and a molecular weight of 368.46 g/mol. Its IUPAC name is 3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID172968540
Molecular FormulaC21H25FN4O
Molecular Weight368.46 g/mol
Exact Mass368.20
IUPAC Name3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CCCNc2ccc(F)cc2)CC1
InChIInChI=1S/C21H25FN4O/c22-16-6-8-17(9-7-16)23-12-3-13-25-14-10-18(11-15-25)26-20-5-2-1-4-19(20)24-21(26)27/h1-2,4-9,18,23H,3,10-15H2,(H,24,27)
InChIKeyAEGVEGPFHZOSNG-UHFFFAOYSA-N
XLogP3.61
TPSA53.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[1-[4-(4-fluorophenyl)-4-phenylbutyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 58160538
3-[1-[3-[(2-methylpropan-2-yl)oxy]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968543
2-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 18187410
3-[1-[4-oxo-4-(2,3,5,6-tetradeuterio-4-fluorophenyl)butyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 163321934
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 21262755
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-[2-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]ethyl]propane-1-sulfonamide
CID 53470365
3-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735754
3-[1-(4,4-dimethoxybutyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968490
3-[1-[3-[ethyl(methyl)amino]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968531
3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968530

Frequently Asked Questions

What is the IUPAC name of 3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 172968540) is 3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(CCCNc2ccc(F)cc2)CC1.
What is the InChIKey of 3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is AEGVEGPFHZOSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O/c22-16-6-8-17(9-7-16)23-12-3-13-25-14-10-18(11-15-25)26-20-5-2-1-4-19(20)24-21(26)27/h1-2,4-9,18,23H,3,10-15H2,(H,24,27).
What are the key properties of 3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 368.46 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[3-(4-fluoroanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 172968540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).