3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

C25H21N3OS — CID 72540252

IUPAC3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)C(=Cc2ccc3c(c2)c2ccccc2n3-c2ccccc2)N(C)C1=S
InChIInChI=1S/C25H21N3OS/c1-3-27-24(29)23(26(2)25(27)30)16-17-13-14-22-20(15-17)19-11-7-8-12-21(19)28(22)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3
InChIKeyHIFAKRSXJGUQNW-UHFFFAOYSA-N
MW411.53 g/mol
LogP5.20
Rot. Bonds3

About 3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one

3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (PubChem CID 72540252) has the molecular formula C25H21N3OS and a molecular weight of 411.53 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
PubChem CID72540252
Molecular FormulaC25H21N3OS
Molecular Weight411.53 g/mol
Exact Mass411.14
IUPAC Name3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
SMILESCCN1C(=O)C(=Cc2ccc3c(c2)c2ccccc2n3-c2ccccc2)N(C)C1=S
InChIInChI=1S/C25H21N3OS/c1-3-27-24(29)23(26(2)25(27)30)16-17-13-14-22-20(15-17)19-11-7-8-12-21(19)28(22)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3
InChIKeyHIFAKRSXJGUQNW-UHFFFAOYSA-N
XLogP5.20
TPSA28.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.53
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-ethyl-1-methyl-5-[(4-propan-2-ylphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 896781
2-[(5Z)-5-[[9-(4-carbazol-9-ylphenyl)carbazol-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
CID 59685458
(5Z)-3-ethyl-5-[(9-methylcarbazol-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 15375095
(5E)-3-methyl-5-[[6-[(E)-(3-methyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-ylidene)methyl]-9-phenylcarbazol-3-yl]methylidene]-1,3-oxazolidine-2,4-dione
CID 58659844
(5Z)-3-ethyl-1-methyl-5-[(4-prop-2-ynoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 2179597
(5E)-5-benzylidene-1-methyl-3-prop-2-enyl-2-sulfanylideneimidazolidin-4-one
CID 839156
(5Z)-3-benzyl-5-[(4-fluorophenyl)methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 11278827
(5Z)-3-ethyl-5-[[4-[(2-fluorophenyl)methoxy]phenyl]methylidene]-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126036041
(5Z)-5-[[1-(4-bromonaphthalen-1-yl)-2,5-dimethylpyrrol-3-yl]methylidene]-3-ethyl-1-methyl-2-sulfanylideneimidazolidin-4-one
CID 126131940
2-[(9-ethylcarbazol-3-yl)methylidene]-1-phenylindol-3-one
CID 76840870
ethyl 2-[[1,3-dibutyl-4,6-dioxo-5-[(9-phenylcarbazol-3-yl)methylidene]-1,3-diazinan-2-ylidene]amino]benzoate
CID 58587358
3-carbazol-9-yl-6-(3-carbazol-9-ylcarbazol-9-yl)-9-phenylcarbazole
CID 146337769

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one (CID 72540252) is 3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is CCN1C(=O)C(=Cc2ccc3c(c2)c2ccccc2n3-c2ccccc2)N(C)C1=S.
What is the InChIKey of 3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
The InChIKey is HIFAKRSXJGUQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3OS/c1-3-27-24(29)23(26(2)25(27)30)16-17-13-14-22-20(15-17)19-11-7-8-12-21(19)28(22)18-9-5-4-6-10-18/h4-16H,3H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one?
3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one has a molecular weight of 411.53 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-[(9-phenylcarbazol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 72540252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).