(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one

C19H18ClN3O — CID 135432495

IUPAC(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\N/C(=C\c2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-2-12-21-19-22-17(13-14-6-4-3-5-7-14)18(24)23(19)16-10-8-15(20)9-11-16/h3-11,13H,2,12H2,1H3,(H,21,22)/b17-13-
InChIKeySPDXTMDAPNFIRD-LGMDPLHJSA-N
MW339.83 g/mol
LogP4.08
Rot. Bonds4

About (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one

(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one (PubChem CID 135432495) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one
PubChem CID135432495
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one
SMILESCCC/N=C1\N/C(=C\c2ccccc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H18ClN3O/c1-2-12-21-19-22-17(13-14-6-4-3-5-7-14)18(24)23(19)16-10-8-15(20)9-11-16/h3-11,13H,2,12H2,1H3,(H,21,22)/b17-13-
InChIKeySPDXTMDAPNFIRD-LGMDPLHJSA-N
XLogP4.08
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one?
The IUPAC name of (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one (CID 135432495) is (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one?
The canonical SMILES for (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one is CCC/N=C1\N/C(=C\c2ccccc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one?
The InChIKey is SPDXTMDAPNFIRD-LGMDPLHJSA-N. The full InChI is InChI=1S/C19H18ClN3O/c1-2-12-21-19-22-17(13-14-6-4-3-5-7-14)18(24)23(19)16-10-8-15(20)9-11-16/h3-11,13H,2,12H2,1H3,(H,21,22)/b17-13-.
What are the key properties of (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one?
(5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one has a molecular weight of 339.83 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-benzylidene-3-(4-chlorophenyl)-2-propyliminoimidazolidin-4-one is sourced from PubChem (CID 135432495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).