3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one

C15H21N3O — CID 117208577

IUPAC3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one
SMILESCCN1CCC(n2c(=O)[nH]c3cccc(C)c32)CC1
InChIInChI=1S/C15H21N3O/c1-3-17-9-7-12(8-10-17)18-14-11(2)5-4-6-13(14)16-15(18)19/h4-6,12H,3,7-10H2,1-2H3,(H,16,19)
InChIKeyJIVHSZFPHPSJGD-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds2

About 3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one

3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one (PubChem CID 117208577) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one
PubChem CID117208577
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one
SMILESCCN1CCC(n2c(=O)[nH]c3cccc(C)c32)CC1
InChIInChI=1S/C15H21N3O/c1-3-17-9-7-12(8-10-17)18-14-11(2)5-4-6-13(14)16-15(18)19/h4-6,12H,3,7-10H2,1-2H3,(H,16,19)
InChIKeyJIVHSZFPHPSJGD-UHFFFAOYSA-N
XLogP2.29
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1,3-Dihydro-1-(4-piperidinyl)-2H-benzimidazol-2-one
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1-Ebio
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(5R)-5,6-Dihydro-5-(propylamino)-4H-imidazo(4,5,1-ij)quinolin-2(1H)-one
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1,3-dihydro-1-(1,2,3,6-tetrahydro-4-pyridinyl)-2H-benzimidazol-2-one
CID 75070
1-propyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 1527023
5-Methylbenzimidazolone
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1-((2R,6S,9aR)-6-Phenyl-octahydro-quinolizin-2-yl)-1,3-dihydro-benzoimidazol-2-one
CID 10066285

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one (CID 117208577) is 3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one is CCN1CCC(n2c(=O)[nH]c3cccc(C)c32)CC1.
What is the InChIKey of 3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one?
The InChIKey is JIVHSZFPHPSJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-17-9-7-12(8-10-17)18-14-11(2)5-4-6-13(14)16-15(18)19/h4-6,12H,3,7-10H2,1-2H3,(H,16,19).
What are the key properties of 3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one?
3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpiperidin-4-yl)-4-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 117208577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).