1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one

C17H23Cl2N3O — CID 46882007

IUPAC1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one
SMILESO=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H23Cl2N3O/c18-14-11-15(19)13-16(12-14)22-10-9-21(17(22)23)8-7-20-5-3-1-2-4-6-20/h11-13H,1-10H2
InChIKeyBVVYFGNETCYNNY-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.11
Rot. Bonds4

About 1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one

1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one (PubChem CID 46882007) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one
PubChem CID46882007
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one
SMILESO=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C17H23Cl2N3O/c18-14-11-15(19)13-16(12-14)22-10-9-21(17(22)23)8-7-20-5-3-1-2-4-6-20/h11-13H,1-10H2
InChIKeyBVVYFGNETCYNNY-UHFFFAOYSA-N
XLogP4.11
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one (CID 46882007) is 1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one is O=C1N(CCN2CCCCCC2)CCN1c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one?
The InChIKey is BVVYFGNETCYNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O/c18-14-11-15(19)13-16(12-14)22-10-9-21(17(22)23)8-7-20-5-3-1-2-4-6-20/h11-13H,1-10H2.
What are the key properties of 1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one?
1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one has a molecular weight of 356.30 g/mol, XLogP of 4.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azepan-1-yl)ethyl]-3-(3,5-dichlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 46882007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).