3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one

C15H21N3O2 — CID 117207356

IUPAC3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one
SMILESCCN1CCCCC1Cn1c(=O)[nH]c2cc(O)ccc21
InChIInChI=1S/C15H21N3O2/c1-2-17-8-4-3-5-11(17)10-18-14-7-6-12(19)9-13(14)16-15(18)20/h6-7,9,11,19H,2-5,8,10H2,1H3,(H,16,20)
InChIKeyLPSRETCCSBRFQX-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.91
Rot. Bonds3

About 3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one

3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one (PubChem CID 117207356) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one
PubChem CID117207356
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one
SMILESCCN1CCCCC1Cn1c(=O)[nH]c2cc(O)ccc21
InChIInChI=1S/C15H21N3O2/c1-2-17-8-4-3-5-11(17)10-18-14-7-6-12(19)9-13(14)16-15(18)20/h6-7,9,11,19H,2-5,8,10H2,1H3,(H,16,20)
InChIKeyLPSRETCCSBRFQX-UHFFFAOYSA-N
XLogP1.91
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-3-[(1-ethylpiperidin-2-yl)methyl]-1H-benzimidazol-2-one
CID 117208083
3-[(1-ethylpyrrolidin-2-yl)methyl]-6-iodo-1H-benzimidazole-2-thione
CID 66064511
6-hydroxy-3-[2-(4-methylpiperazin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 117207686
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1-[(4-methoxyphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 7451504
3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-6-fluoro-1H-benzimidazol-2-one
CID 113195404
3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one
CID 117207118
5-hydroxy-3-(oxan-2-ylmethyl)-1H-benzimidazol-2-one
CID 117208085
6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117207368
5-hydroxy-3-(oxan-3-ylmethyl)-1H-benzimidazol-2-one
CID 117208125
1-[(1-ethylpyrrolidin-2-yl)methyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 16785578
3-(thian-2-ylmethyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117207320
6-hydroxy-3-piperidin-4-yl-1H-benzimidazol-2-one
CID 83415288

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one?
The IUPAC name of 3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one (CID 117207356) is 3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one is CCN1CCCCC1Cn1c(=O)[nH]c2cc(O)ccc21.
What is the InChIKey of 3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one?
The InChIKey is LPSRETCCSBRFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-2-17-8-4-3-5-11(17)10-18-14-7-6-12(19)9-13(14)16-15(18)20/h6-7,9,11,19H,2-5,8,10H2,1H3,(H,16,20).
What are the key properties of 3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one?
3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpiperidin-2-yl)methyl]-6-hydroxy-1H-benzimidazol-2-one is sourced from PubChem (CID 117207356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).