3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one

C16H23N3O — CID 117207118

IUPAC3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one
SMILESCCN1CCC(Cn2c(=O)[nH]c3cc(C)ccc32)CC1
InChIInChI=1S/C16H23N3O/c1-3-18-8-6-13(7-9-18)11-19-15-5-4-12(2)10-14(15)17-16(19)20/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,17,20)
InChIKeyBIGPHYWDXCRXQI-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.37
Rot. Bonds3

About 3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one

3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one (PubChem CID 117207118) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one
PubChem CID117207118
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one
SMILESCCN1CCC(Cn2c(=O)[nH]c3cc(C)ccc32)CC1
InChIInChI=1S/C16H23N3O/c1-3-18-8-6-13(7-9-18)11-19-15-5-4-12(2)10-14(15)17-16(19)20/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,17,20)
InChIKeyBIGPHYWDXCRXQI-UHFFFAOYSA-N
XLogP2.37
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-1H-benzimidazol-2-one
CID 117207857
3-[(1,1-dioxothian-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one
CID 117207114
6-methyl-3-[(1-methylpiperidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117207368
5-methyl-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-1H-benzimidazol-2-one
CID 117207858
3-(3-ethoxypropyl)-6-methyl-1H-benzimidazol-2-one
CID 139627865
3-butyl-6-methyl-1H-benzimidazol-2-one
CID 139627859
4-[(5-fluoro-2-oxo-3H-benzimidazol-1-yl)methyl]piperidine-1-carboxylic acid
CID 172832405
3-(cyclopropylmethyl)-1H-benzimidazol-2-one
CID 57436030
6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one
CID 67560491
3-(2-methoxyethyl)-6-methyl-1H-benzimidazol-2-one
CID 59144622
3-[(1,1-dioxothian-4-yl)methyl]-6-methoxy-1H-benzimidazol-2-one
CID 117207139
6-methoxy-3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1H-benzimidazol-2-one
CID 117207108

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one?
The IUPAC name of 3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one (CID 117207118) is 3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one?
The canonical SMILES for 3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one is CCN1CCC(Cn2c(=O)[nH]c3cc(C)ccc32)CC1.
What is the InChIKey of 3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one?
The InChIKey is BIGPHYWDXCRXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-18-8-6-13(7-9-18)11-19-15-5-4-12(2)10-14(15)17-16(19)20/h4-5,10,13H,3,6-9,11H2,1-2H3,(H,17,20).
What are the key properties of 3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one?
3-[(1-ethylpiperidin-4-yl)methyl]-6-methyl-1H-benzimidazol-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.37, 3 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)methyl]-6-methyl-1H-benzimidazol-2-one is sourced from PubChem (CID 117207118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).