1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one

C22H27N3O2 — CID 23206603

IUPAC1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one
SMILESCCC(O)n1c(=O)n(N2CCC(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H27N3O2/c1-2-21(26)24-19-10-6-7-11-20(19)25(22(24)27)23-14-12-18(13-15-23)16-17-8-4-3-5-9-17/h3-11,18,21,26H,2,12-16H2,1H3
InChIKeyBUJIWIBJRYYCKR-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.29
Rot. Bonds5

About 1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one

1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one (PubChem CID 23206603) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one
PubChem CID23206603
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one
SMILESCCC(O)n1c(=O)n(N2CCC(Cc3ccccc3)CC2)c2ccccc21
InChIInChI=1S/C22H27N3O2/c1-2-21(26)24-19-10-6-7-11-20(19)25(22(24)27)23-14-12-18(13-15-23)16-17-8-4-3-5-9-17/h3-11,18,21,26H,2,12-16H2,1H3
InChIKeyBUJIWIBJRYYCKR-UHFFFAOYSA-N
XLogP3.29
TPSA50.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one
CID 67713641
1-(4-benzylpiperidin-1-yl)-2-bromobutan-1-one
CID 25219771
2-(4-benzylpiperidin-1-yl)-N-(1-hydroxybutan-2-yl)-2-oxoacetamide
CID 108507028
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-butan-2-ylquinazoline-2,4-dione
CID 51046744
2-(4-benzylpiperidin-1-yl)propanoic acid
CID 20986530
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-benzyl-1-methylpiperidine;ethane
CID 142009767
ethyl 4-benzylpiperidine-1-carboxylate
CID 3561633
(2S)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537907
(2R)-1-(4-benzylpiperidin-1-yl)-2-ethylhexan-1-one
CID 40537850
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
2-(4-benzylpiperidin-1-yl)pentan-3-amine
CID 43346352

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one (CID 23206603) is 1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one is CCC(O)n1c(=O)n(N2CCC(Cc3ccccc3)CC2)c2ccccc21.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one?
The InChIKey is BUJIWIBJRYYCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-2-21(26)24-19-10-6-7-11-20(19)25(22(24)27)23-14-12-18(13-15-23)16-17-8-4-3-5-9-17/h3-11,18,21,26H,2,12-16H2,1H3.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one?
1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one has a molecular weight of 365.48 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one is sourced from PubChem (CID 23206603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).