(5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione

C21H18ClN3O2 — CID 1004128

IUPAC(5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)n1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21
InChIInChI=1S/C21H18ClN3O2/c1-13(2)24-12-14(17-8-3-4-9-19(17)24)10-18-20(26)25(21(27)23-18)16-7-5-6-15(22)11-16/h3-13H,1-2H3,(H,23,27)/b18-10+
InChIKeyFYOSNPKGMBQCGF-VCHYOVAHSA-N
MW379.85 g/mol
LogP4.97
Rot. Bonds3

About (5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione

(5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 1004128) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is (5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione
PubChem CID1004128
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC Name(5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione
SMILESCC(C)n1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21
InChIInChI=1S/C21H18ClN3O2/c1-13(2)24-12-14(17-8-3-4-9-19(17)24)10-18-20(26)25(21(27)23-18)16-7-5-6-15(22)11-16/h3-13H,1-2H3,(H,23,27)/b18-10+
InChIKeyFYOSNPKGMBQCGF-VCHYOVAHSA-N
XLogP4.97
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 126221370
(5E)-3-(3-chlorophenyl)-5-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 1021155
(5E)-3-(3-chlorophenyl)-5-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylidene]imidazolidine-2,4-dione
CID 44713962
(5E)-5-[(2-bromophenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100863
(5E)-5-[(5-chloro-2-hydroxyphenyl)methylidene]-3-(3-chlorophenyl)imidazolidine-2,4-dione
CID 126100759
(5E)-5-[[1-[(2R)-butan-2-yl]indol-3-yl]methylidene]-3-(3-chlorophenyl)-1,3-thiazolidine-2,4-dione
CID 126217123
3-(3-chlorophenyl)-5-[(2-ethoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 4038187
3-(3-chlorophenyl)-5-[[2-(4-chlorophenyl)sulfanylphenyl]methylidene]imidazolidine-2,4-dione
CID 5217850
3-(3-chlorophenyl)-5-[[4-(dimethylamino)phenyl]methylidene]imidazolidine-2,4-dione
CID 3374568
(5E)-3-(3-chlorophenyl)-5-[(2,5-dimethyl-1-naphthalen-1-ylpyrrol-3-yl)methylidene]imidazolidine-2,4-dione
CID 126071464
(5E)-3-(3-chlorophenyl)-5-[[2,5-dimethyl-1-(4-propan-2-ylphenyl)pyrrol-3-yl]methylidene]imidazolidine-2,4-dione
CID 126077653
3-(3-chlorophenyl)-5-[(5-methylfuran-2-yl)methylidene]imidazolidine-2,4-dione
CID 2938312

Frequently Asked Questions

What is the IUPAC name of (5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione (CID 1004128) is (5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione is CC(C)n1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21.
What is the InChIKey of (5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is FYOSNPKGMBQCGF-VCHYOVAHSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-13(2)24-12-14(17-8-3-4-9-19(17)24)10-18-20(26)25(21(27)23-18)16-7-5-6-15(22)11-16/h3-13H,1-2H3,(H,23,27)/b18-10+.
What are the key properties of (5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione?
(5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 379.85 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-(3-chlorophenyl)-5-[(1-propan-2-ylindol-3-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 1004128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).