1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one

C16H24N4O — CID 46881409

IUPAC1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one
SMILESO=C1N(CCN2CCCCCC2)CCN1c1cccnc1
InChIInChI=1S/C16H24N4O/c21-16-19(11-10-18-8-3-1-2-4-9-18)12-13-20(16)15-6-5-7-17-14-15/h5-7,14H,1-4,8-13H2
InChIKeySVLJLEACLLUCRC-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.20
Rot. Bonds4

About 1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one

1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one (PubChem CID 46881409) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one
PubChem CID46881409
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one
SMILESO=C1N(CCN2CCCCCC2)CCN1c1cccnc1
InChIInChI=1S/C16H24N4O/c21-16-19(11-10-18-8-3-1-2-4-9-18)12-13-20(16)15-6-5-7-17-14-15/h5-7,14H,1-4,8-13H2
InChIKeySVLJLEACLLUCRC-UHFFFAOYSA-N
XLogP2.20
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one?
The IUPAC name of 1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one (CID 46881409) is 1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one.
What is the SMILES notation for 1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one?
The canonical SMILES for 1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one is O=C1N(CCN2CCCCCC2)CCN1c1cccnc1.
What is the InChIKey of 1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one?
The InChIKey is SVLJLEACLLUCRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c21-16-19(11-10-18-8-3-1-2-4-9-18)12-13-20(16)15-6-5-7-17-14-15/h5-7,14H,1-4,8-13H2.
What are the key properties of 1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one?
1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one has a molecular weight of 288.39 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)ethyl]-3-pyridin-3-ylimidazolidin-2-one is sourced from PubChem (CID 46881409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).