5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

C18H14Br2N2OS — CID 11488130

IUPAC5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S
InChIInChI=1S/C18H14Br2N2OS/c1-2-11-22-16(23)18(21-17(22)24,12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h2-10H,1,11H2,(H,21,24)
InChIKeyNHKNBJWPTINIMQ-UHFFFAOYSA-N
MW466.20 g/mol
LogP4.36
Rot. Bonds4

About 5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one

5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 11488130) has the molecular formula C18H14Br2N2OS and a molecular weight of 466.20 g/mol. Its IUPAC name is 5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
PubChem CID11488130
Molecular FormulaC18H14Br2N2OS
Molecular Weight466.20 g/mol
Exact Mass463.92
IUPAC Name5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
SMILESC=CCN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S
InChIInChI=1S/C18H14Br2N2OS/c1-2-11-22-16(23)18(21-17(22)24,12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h2-10H,1,11H2,(H,21,24)
InChIKeyNHKNBJWPTINIMQ-UHFFFAOYSA-N
XLogP4.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.20
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one (CID 11488130) is 5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is C=CCN1C(=O)C(c2ccc(Br)cc2)(c2ccc(Br)cc2)NC1=S.
What is the InChIKey of 5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is NHKNBJWPTINIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Br2N2OS/c1-2-11-22-16(23)18(21-17(22)24,12-3-7-14(19)8-4-12)13-5-9-15(20)10-6-13/h2-10H,1,11H2,(H,21,24).
What are the key properties of 5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one?
5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 466.20 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-bis(4-bromophenyl)-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 11488130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).