4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one

C14H17ClN2OS — CID 141171823

IUPAC4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one
SMILESO=C1NC(c2cccc(Cl)c2)CN1C1CCSCC1
InChIInChI=1S/C14H17ClN2OS/c15-11-3-1-2-10(8-11)13-9-17(14(18)16-13)12-4-6-19-7-5-12/h1-3,8,12-13H,4-7,9H2,(H,16,18)
InChIKeyWDSQONDSLYOHHC-UHFFFAOYSA-N
MW296.82 g/mol
LogP3.30
Rot. Bonds2

About 4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one

4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one (PubChem CID 141171823) has the molecular formula C14H17ClN2OS and a molecular weight of 296.82 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one
PubChem CID141171823
Molecular FormulaC14H17ClN2OS
Molecular Weight296.82 g/mol
Exact Mass296.08
IUPAC Name4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one
SMILESO=C1NC(c2cccc(Cl)c2)CN1C1CCSCC1
InChIInChI=1S/C14H17ClN2OS/c15-11-3-1-2-10(8-11)13-9-17(14(18)16-13)12-4-6-19-7-5-12/h1-3,8,12-13H,4-7,9H2,(H,16,18)
InChIKeyWDSQONDSLYOHHC-UHFFFAOYSA-N
XLogP3.30
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.82
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one (CID 141171823) is 4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one is O=C1NC(c2cccc(Cl)c2)CN1C1CCSCC1.
What is the InChIKey of 4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one?
The InChIKey is WDSQONDSLYOHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2OS/c15-11-3-1-2-10(8-11)13-9-17(14(18)16-13)12-4-6-19-7-5-12/h1-3,8,12-13H,4-7,9H2,(H,16,18).
What are the key properties of 4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one?
4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one has a molecular weight of 296.82 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-(thian-4-yl)imidazolidin-2-one is sourced from PubChem (CID 141171823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).