3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one

C16H23N3O — CID 175920644

IUPAC3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cccc(CCCC3CCNCC3)c21
InChIInChI=1S/C16H23N3O/c1-19-15-13(6-3-7-14(15)18-16(19)20)5-2-4-12-8-10-17-11-9-12/h3,6-7,12,17H,2,4-5,8-11H2,1H3,(H,18,20)
InChIKeyGSZCQSYEXIIEDB-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.19
Rot. Bonds4

About 3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one

3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one (PubChem CID 175920644) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one
PubChem CID175920644
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one
SMILESCn1c(=O)[nH]c2cccc(CCCC3CCNCC3)c21
InChIInChI=1S/C16H23N3O/c1-19-15-13(6-3-7-14(15)18-16(19)20)5-2-4-12-8-10-17-11-9-12/h3,6-7,12,17H,2,4-5,8-11H2,1H3,(H,18,20)
InChIKeyGSZCQSYEXIIEDB-UHFFFAOYSA-N
XLogP2.19
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one (CID 175920644) is 3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one is Cn1c(=O)[nH]c2cccc(CCCC3CCNCC3)c21.
What is the InChIKey of 3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one?
The InChIKey is GSZCQSYEXIIEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19-15-13(6-3-7-14(15)18-16(19)20)5-2-4-12-8-10-17-11-9-12/h3,6-7,12,17H,2,4-5,8-11H2,1H3,(H,18,20).
What are the key properties of 3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one?
3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one has a molecular weight of 273.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3-piperidin-4-ylpropyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 175920644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).