(5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one

C18H23N3OS — CID 5400800

IUPAC(5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)NC1=S
InChIInChI=1S/C18H23N3OS/c1-3-8-21-17(22)15(19-18(21)23)12-14-6-7-16(13(2)11-14)20-9-4-5-10-20/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,23)/b15-12-
InChIKeySKJLXRJWQHETDB-QINSGFPZSA-N
MW329.47 g/mol
LogP3.06
Rot. Bonds4

About (5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one

(5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 5400800) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is (5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name(5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
PubChem CID5400800
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name(5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)NC1=S
InChIInChI=1S/C18H23N3OS/c1-3-8-21-17(22)15(19-18(21)23)12-14-6-7-16(13(2)11-14)20-9-4-5-10-20/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,23)/b15-12-
InChIKeySKJLXRJWQHETDB-QINSGFPZSA-N
XLogP3.06
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

4H-Imidazo(4,5-c)quinolin-4-one, 1,2,3,5-tetrahydro-5-butyl-1-methyl-2-thioxo-
CID 3077038
(Z)-5-(4-(diethylamino)benzylidene)imidazolidine-2,4-dione
CID 5961114
(5E)-5-(1-ethylquinolin-2(1H)-ylidene)-1,3-dimethyl-2-thioxoimidazolidin-4-one
CID 6187172
(5E)-1-benzyl-5-{[4-(dimethylamino)phenyl]methylidene}imidazolidine-2,4-dione
CID 25185444
1,3-Dimethyl-5-[3-methyl-4-(1-pyrrolidinyl)benzylidene]-2-thioxo-4-imidazolidinone
CID 891056
5-(1-ethyl-6-methyl-2(1H)-quinolinylidene)-1,3-dimethyl-2-thioxo-4-imidazolidinone
CID 1731145
3-Cyclopropyl-5-[4-(1-pyrrolidinyl)benzylidene]-2-thioxo-4-imidazolidinone
CID 1798506
3-Benzyl-5-[4-(dimethylamino)benzylidene]-2-thioxo-4-imidazolidinone
CID 1803281
3-Phenyl-5-[4-(1-pyrrolidinyl)benzylidene]-2,4-imidazolidinedione
CID 2174599
3-Methyl-5-[3-methyl-4-(1-pyrrolidinyl)benzylidene]-2-thioxo-4-imidazolidinone
CID 2185976
3-Methyl-5-[2-methyl-4-(1-pyrrolidinyl)benzylidene]-2-thioxo-4-imidazolidinone
CID 2187445
(5Z)-5-[[4-(dimethylamino)phenyl]methylidene]-1-methyl-3-phenyl-2-sulfanylideneimidazolidin-4-one
CID 2538148

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of (5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one (CID 5400800) is (5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for (5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for (5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one is CCCN1C(=O)/C(=C/c2ccc(N3CCCC3)c(C)c2)NC1=S.
What is the InChIKey of (5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SKJLXRJWQHETDB-QINSGFPZSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-3-8-21-17(22)15(19-18(21)23)12-14-6-7-16(13(2)11-14)20-9-4-5-10-20/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,19,23)/b15-12-.
What are the key properties of (5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one?
(5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 329.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[(3-methyl-4-pyrrolidin-1-ylphenyl)methylidene]-3-propyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 5400800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).