5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one

C15H18N4O — CID 167930767

IUPAC5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one
SMILESO=C1CCC(Cn2ccnc2-c2ccccn2)CCN1
InChIInChI=1S/C15H18N4O/c20-14-5-4-12(6-8-17-14)11-19-10-9-18-15(19)13-3-1-2-7-16-13/h1-3,7,9-10,12H,4-6,8,11H2,(H,17,20)
InChIKeyRZMXCNCNMSHQNG-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.86
Rot. Bonds3

About 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one

5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one (PubChem CID 167930767) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one.

Molecular Properties

Compound Name5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one
PubChem CID167930767
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one
SMILESO=C1CCC(Cn2ccnc2-c2ccccn2)CCN1
InChIInChI=1S/C15H18N4O/c20-14-5-4-12(6-8-17-14)11-19-10-9-18-15(19)13-3-1-2-7-16-13/h1-3,7,9-10,12H,4-6,8,11H2,(H,17,20)
InChIKeyRZMXCNCNMSHQNG-UHFFFAOYSA-N
XLogP1.86
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one?
The IUPAC name of 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one (CID 167930767) is 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one.
What is the SMILES notation for 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one?
The canonical SMILES for 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one is O=C1CCC(Cn2ccnc2-c2ccccn2)CCN1.
What is the InChIKey of 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one?
The InChIKey is RZMXCNCNMSHQNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-14-5-4-12(6-8-17-14)11-19-10-9-18-15(19)13-3-1-2-7-16-13/h1-3,7,9-10,12H,4-6,8,11H2,(H,17,20).
What are the key properties of 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one?
5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one has a molecular weight of 270.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-pyridin-2-ylimidazol-1-yl)methyl]azepan-2-one is sourced from PubChem (CID 167930767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).