6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one

C22H25ClFN3O2 — CID 25161226

IUPAC6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2[nH]c(=O)[nH]c12
InChIInChI=1S/C22H25ClFN3O2/c1-14(18-11-16(23)12-19-20(18)26-21(28)25-19)29-13-22(7-9-27(2)10-8-22)15-3-5-17(24)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,25,26,28)
InChIKeyHDPYXBMABSIRFQ-UHFFFAOYSA-N
MW417.91 g/mol
LogP4.39
Rot. Bonds5

About 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one

6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 25161226) has the molecular formula C22H25ClFN3O2 and a molecular weight of 417.91 g/mol. Its IUPAC name is 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID25161226
Molecular FormulaC22H25ClFN3O2
Molecular Weight417.91 g/mol
Exact Mass417.16
IUPAC Name6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2[nH]c(=O)[nH]c12
InChIInChI=1S/C22H25ClFN3O2/c1-14(18-11-16(23)12-19-20(18)26-21(28)25-19)29-13-22(7-9-27(2)10-8-22)15-3-5-17(24)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,25,26,28)
InChIKeyHDPYXBMABSIRFQ-UHFFFAOYSA-N
XLogP4.39
TPSA61.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.91
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 25161226) is 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one is CC(OCC1(c2ccc(F)cc2)CCN(C)CC1)c1cc(Cl)cc2[nH]c(=O)[nH]c12.
What is the InChIKey of 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is HDPYXBMABSIRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN3O2/c1-14(18-11-16(23)12-19-20(18)26-21(28)25-19)29-13-22(7-9-27(2)10-8-22)15-3-5-17(24)6-4-15/h3-6,11-12,14H,7-10,13H2,1-2H3,(H2,25,26,28).
What are the key properties of 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one?
6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 417.91 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 25161226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).