5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one

C22H25F2N3O2 — CID 21465226

IUPAC5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(F)c(C(O)CCN3CCC(Cc4ccc(F)cc4)CC3)cc2[nH]1
InChIInChI=1S/C22H25F2N3O2/c23-16-3-1-14(2-4-16)11-15-5-8-27(9-6-15)10-7-21(28)17-12-19-20(13-18(17)24)26-22(29)25-19/h1-4,12-13,15,21,28H,5-11H2,(H2,25,26,29)
InChIKeyMQBCGVSXPHUGHB-UHFFFAOYSA-N
MW401.46 g/mol
LogP3.51
Rot. Bonds6

About 5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one

5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 21465226) has the molecular formula C22H25F2N3O2 and a molecular weight of 401.46 g/mol. Its IUPAC name is 5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID21465226
Molecular FormulaC22H25F2N3O2
Molecular Weight401.46 g/mol
Exact Mass401.19
IUPAC Name5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
SMILESO=c1[nH]c2cc(F)c(C(O)CCN3CCC(Cc4ccc(F)cc4)CC3)cc2[nH]1
InChIInChI=1S/C22H25F2N3O2/c23-16-3-1-14(2-4-16)11-15-5-8-27(9-6-15)10-7-21(28)17-12-19-20(13-18(17)24)26-22(29)25-19/h1-4,12-13,15,21,28H,5-11H2,(H2,25,26,29)
InChIKeyMQBCGVSXPHUGHB-UHFFFAOYSA-N
XLogP3.51
TPSA72.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.46
LogP ≤ 53.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-6-[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-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one (CID 21465226) is 5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one is O=c1[nH]c2cc(F)c(C(O)CCN3CCC(Cc4ccc(F)cc4)CC3)cc2[nH]1.
What is the InChIKey of 5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MQBCGVSXPHUGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O2/c23-16-3-1-14(2-4-16)11-15-5-8-27(9-6-15)10-7-21(28)17-12-19-20(13-18(17)24)26-22(29)25-19/h1-4,12-13,15,21,28H,5-11H2,(H2,25,26,29).
What are the key properties of 5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 401.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[3-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 21465226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).