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

C22H27N3O2 — CID 67713641

IUPAC1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one
SMILESO=c1n(CCCO)c2ccccc2n1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c26-16-6-13-24-20-9-4-5-10-21(20)25(22(24)27)23-14-11-19(12-15-23)17-18-7-2-1-3-8-18/h1-5,7-10,19,26H,6,11-17H2
InChIKeyWKIHWZIUFPDYEE-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.78
Rot. Bonds6

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

1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one (PubChem CID 67713641) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one
PubChem CID67713641
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one
SMILESO=c1n(CCCO)c2ccccc2n1N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C22H27N3O2/c26-16-6-13-24-20-9-4-5-10-21(20)25(22(24)27)23-14-11-19(12-15-23)17-18-7-2-1-3-8-18/h1-5,7-10,19,26H,6,11-17H2
InChIKeyWKIHWZIUFPDYEE-UHFFFAOYSA-N
XLogP2.78
TPSA50.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-benzylpiperidin-1-yl)-3-(1-hydroxypropyl)benzimidazol-2-one
CID 23206603
3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one
CID 10427916
4-benzyl-1-methylpiperidine;ethane
CID 142009767
4-[[(2R,4S)-4-benzyl-1-(3-hydroxypropyl)piperidin-2-yl]methyl]phenol
CID 171318057
1-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-3-(3-methoxypropyl)quinazoline-2,4-dione
CID 6502276
5-(4-benzylpiperidin-1-yl)-1-carbazol-9-ylpentan-1-one;hydrochloride
CID 122483259
4-(4-benzylpiperidin-1-yl)benzoic acid
CID 22730857
N-[2-(4-benzylpiperidin-1-yl)ethyl]-3-(4-methyl-2,3-dioxoquinoxalin-1-yl)propanamide
CID 50815798
1-[1-(4-chlorobutyl)piperidin-4-yl]-3-(4-phenylbutyl)benzimidazol-2-one
CID 174229465
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
(4-benzylpiperidin-1-yl) hydrogen carbonate
CID 90757299
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471

Frequently Asked Questions

What is the IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one?
The IUPAC name of 1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one (CID 67713641) is 1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one.
What is the SMILES notation for 1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one?
The canonical SMILES for 1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one is O=c1n(CCCO)c2ccccc2n1N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one?
The InChIKey is WKIHWZIUFPDYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-16-6-13-24-20-9-4-5-10-21(20)25(22(24)27)23-14-11-19(12-15-23)17-18-7-2-1-3-8-18/h1-5,7-10,19,26H,6,11-17H2.
What are the key properties of 1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one?
1-(4-benzylpiperidin-1-yl)-3-(3-hydroxypropyl)benzimidazol-2-one has a molecular weight of 365.48 g/mol, XLogP of 2.78, 6 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-(3-hydroxypropyl)benzimidazol-2-one is sourced from PubChem (CID 67713641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).