5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one

C22H26FN3O2 — CID 21465197

IUPAC5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)CCN3CCC(Cc4ccc(F)cc4)CC3)cc2[nH]1
InChIInChI=1S/C22H26FN3O2/c23-18-4-1-15(2-5-18)13-16-7-10-26(11-8-16)12-9-21(27)17-3-6-19-20(14-17)25-22(28)24-19/h1-6,14,16,21,27H,7-13H2,(H2,24,25,28)
InChIKeyJFQCPVWUZWPHDU-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.37
Rot. Bonds6

About 5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one

5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 21465197) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is 5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID21465197
Molecular FormulaC22H26FN3O2
Molecular Weight383.47 g/mol
Exact Mass383.20
IUPAC Name5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(O)CCN3CCC(Cc4ccc(F)cc4)CC3)cc2[nH]1
InChIInChI=1S/C22H26FN3O2/c23-18-4-1-15(2-5-18)13-16-7-10-26(11-8-16)12-9-21(27)17-3-6-19-20(14-17)25-22(28)24-19/h1-6,14,16,21,27H,7-13H2,(H2,24,25,28)
InChIKeyJFQCPVWUZWPHDU-UHFFFAOYSA-N
XLogP3.37
TPSA72.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-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

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one (CID 21465197) is 5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2ccc(C(O)CCN3CCC(Cc4ccc(F)cc4)CC3)cc2[nH]1.
What is the InChIKey of 5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is JFQCPVWUZWPHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O2/c23-18-4-1-15(2-5-18)13-16-7-10-26(11-8-16)12-9-21(27)17-3-6-19-20(14-17)25-22(28)24-19/h1-6,14,16,21,27H,7-13H2,(H2,24,25,28).
What are the key properties of 5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 383.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 21465197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).