1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one

C19H15ClN2O2 — CID 58188724

IUPAC1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one
SMILESO=C1Cc2ccc(Cl)cc2C=C1N1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H15ClN2O2/c20-15-7-6-13-12-18(23)17(11-14(13)10-15)22-9-8-21(19(22)24)16-4-2-1-3-5-16/h1-7,10-11H,8-9,12H2
InChIKeyQALKVDCKRQRMAD-UHFFFAOYSA-N
MW338.79 g/mol
LogP3.75
Rot. Bonds2

About 1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one

1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one (PubChem CID 58188724) has the molecular formula C19H15ClN2O2 and a molecular weight of 338.79 g/mol. Its IUPAC name is 1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one.

Molecular Properties

Compound Name1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one
PubChem CID58188724
Molecular FormulaC19H15ClN2O2
Molecular Weight338.79 g/mol
Exact Mass338.08
IUPAC Name1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one
SMILESO=C1Cc2ccc(Cl)cc2C=C1N1CCN(c2ccccc2)C1=O
InChIInChI=1S/C19H15ClN2O2/c20-15-7-6-13-12-18(23)17(11-14(13)10-15)22-9-8-21(19(22)24)16-4-2-1-3-5-16/h1-7,10-11H,8-9,12H2
InChIKeyQALKVDCKRQRMAD-UHFFFAOYSA-N
XLogP3.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.79
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one?
The IUPAC name of 1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one (CID 58188724) is 1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one.
What is the SMILES notation for 1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one?
The canonical SMILES for 1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one is O=C1Cc2ccc(Cl)cc2C=C1N1CCN(c2ccccc2)C1=O.
What is the InChIKey of 1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one?
The InChIKey is QALKVDCKRQRMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O2/c20-15-7-6-13-12-18(23)17(11-14(13)10-15)22-9-8-21(19(22)24)16-4-2-1-3-5-16/h1-7,10-11H,8-9,12H2.
What are the key properties of 1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one?
1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one has a molecular weight of 338.79 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-chloro-3-oxo-4H-naphthalen-2-yl)-3-phenylimidazolidin-2-one is sourced from PubChem (CID 58188724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).