5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one

C22H27N3O2 — CID 14678964

IUPAC5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C(O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-15(21(26)18-7-8-19-20(14-18)24-22(27)23-19)25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14-15,17,21,26H,9-13H2,1H3,(H2,23,24,27)
InChIKeyWCSYCDUDTTZIHE-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.23
Rot. Bonds5

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

5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 14678964) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID14678964
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(C(O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c1-15(21(26)18-7-8-19-20(14-18)24-22(27)23-19)25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14-15,17,21,26H,9-13H2,1H3,(H2,23,24,27)
InChIKeyWCSYCDUDTTZIHE-UHFFFAOYSA-N
XLogP3.23
TPSA72.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one with MolForge

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Related Compounds

4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
CID 45258690
5-(4-benzylpiperidine-1-carbonyl)-1,3-dihydrobenzimidazol-2-one
CID 110692348
5-[3-[(3R)-3-benzylpiperidin-1-yl]-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 67618932
(1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
CID 45258806
(1R,2R)-1-[4-(8-aminooctylamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
CID 45258577
(1R,2R)-1-[4-(6-aminohexylamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol;trihydrochloride
CID 45258576
4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one
CID 54736028
7-[1-(4-benzylpiperidin-1-yl)ethyl]-3-ethyl-1H-quinolin-2-one
CID 143795992
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 159181965
2-(4-benzylpiperidin-1-yl)pentan-3-amine
CID 43346352
4-benzyl-1-propan-2-ylpiperidine
CID 22959492

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one (CID 14678964) is 5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one is CC(C(O)c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is WCSYCDUDTTZIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-15(21(26)18-7-8-19-20(14-18)24-22(27)23-19)25-11-9-17(10-12-25)13-16-5-3-2-4-6-16/h2-8,14-15,17,21,26H,9-13H2,1H3,(H2,23,24,27).
What are the key properties of 5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 365.48 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 14678964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).