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

C15H21N3O — CID 68581096

IUPAC4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one
SMILESCCC1CCCCN1c1cccc2[nH]c(=O)n(C)c12
InChIInChI=1S/C15H21N3O/c1-3-11-7-4-5-10-18(11)13-9-6-8-12-14(13)17(2)15(19)16-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,16,19)
InChIKeyZRKYFMFMTQBRKO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.64
Rot. Bonds2

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

4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one (PubChem CID 68581096) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one
PubChem CID68581096
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one
SMILESCCC1CCCCN1c1cccc2[nH]c(=O)n(C)c12
InChIInChI=1S/C15H21N3O/c1-3-11-7-4-5-10-18(11)13-9-6-8-12-14(13)17(2)15(19)16-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,16,19)
InChIKeyZRKYFMFMTQBRKO-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-(2-ethylazepan-1-yl)phenyl]methanamine
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ethyl 2-amino-3-(2-ethylazepan-1-yl)benzoate
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6-(2-ethylpiperidin-1-yl)-3-hydroxy-1-methyl-3H-indol-2-one
CID 81308996
2-(2-ethylpyrrolidin-1-yl)benzaldehyde
CID 60973642
1-[2-(bromomethyl)-3-chlorophenyl]-2-ethylpyrrolidine
CID 107080748
(1R)-1-[2-(2-ethylazepan-1-yl)phenyl]ethanol
CID 104690574
2-bromo-6-(2-ethylpyrrolidin-1-yl)benzoic acid
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(1S)-1-[2-(2-ethylazepan-1-yl)-6-methoxyphenyl]ethanamine
CID 104690196

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one?
The IUPAC name of 4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one (CID 68581096) is 4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one is CCC1CCCCN1c1cccc2[nH]c(=O)n(C)c12.
What is the InChIKey of 4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one?
The InChIKey is ZRKYFMFMTQBRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-3-11-7-4-5-10-18(11)13-9-6-8-12-14(13)17(2)15(19)16-12/h6,8-9,11H,3-5,7,10H2,1-2H3,(H,16,19).
What are the key properties of 4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one?
4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylpiperidin-1-yl)-3-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 68581096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).