1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one

C17H24ClN3O — CID 46882004

IUPAC1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
SMILESO=C1N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C17H24ClN3O/c18-15-6-5-7-16(14-15)21-13-12-20(17(21)22)11-10-19-8-3-1-2-4-9-19/h5-7,14H,1-4,8-13H2
InChIKeyXRCOCSDAHSAQTP-UHFFFAOYSA-N
MW321.85 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one

1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one (PubChem CID 46882004) has the molecular formula C17H24ClN3O and a molecular weight of 321.85 g/mol. Its IUPAC name is 1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
PubChem CID46882004
Molecular FormulaC17H24ClN3O
Molecular Weight321.85 g/mol
Exact Mass321.16
IUPAC Name1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one
SMILESO=C1N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1
InChIInChI=1S/C17H24ClN3O/c18-15-6-5-7-16(14-15)21-13-12-20(17(21)22)11-10-19-8-3-1-2-4-9-19/h5-7,14H,1-4,8-13H2
InChIKeyXRCOCSDAHSAQTP-UHFFFAOYSA-N
XLogP3.46
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.85
LogP ≤ 53.46
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-chlorophenyl)imidazolidin-2-one?
The IUPAC name of 1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one (CID 46882004) is 1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one.
What is the SMILES notation for 1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
The canonical SMILES for 1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one is O=C1N(CCN2CCCCCC2)CCN1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
The InChIKey is XRCOCSDAHSAQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O/c18-15-6-5-7-16(14-15)21-13-12-20(17(21)22)11-10-19-8-3-1-2-4-9-19/h5-7,14H,1-4,8-13H2.
What are the key properties of 1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one?
1-[2-(azepan-1-yl)ethyl]-3-(3-chlorophenyl)imidazolidin-2-one has a molecular weight of 321.85 g/mol, XLogP of 3.46, 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-chlorophenyl)imidazolidin-2-one is sourced from PubChem (CID 46882004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).