(5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one

C18H22N4O — CID 10041061

IUPAC(5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one
SMILES[H]/N=C1\N(CC)C(=O)/C(=C\c2cn(CC)c3ccccc23)N1CC
InChIInChI=1S/C18H22N4O/c1-4-20-12-13(14-9-7-8-10-15(14)20)11-16-17(23)22(6-3)18(19)21(16)5-2/h7-12,19H,4-6H2,1-3H3/b16-11+,19-18-
InChIKeyLMHIJLMRTWWPTQ-BDYZYUDZSA-N
MW310.40 g/mol
LogP3.12
Rot. Bonds4

About (5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one

(5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one (PubChem CID 10041061) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one.

Molecular Properties

Compound Name(5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one
PubChem CID10041061
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one
SMILES[H]/N=C1\N(CC)C(=O)/C(=C\c2cn(CC)c3ccccc23)N1CC
InChIInChI=1S/C18H22N4O/c1-4-20-12-13(14-9-7-8-10-15(14)20)11-16-17(23)22(6-3)18(19)21(16)5-2/h7-12,19H,4-6H2,1-3H3/b16-11+,19-18-
InChIKeyLMHIJLMRTWWPTQ-BDYZYUDZSA-N
XLogP3.12
TPSA52.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5Z)-5-[(1-ethylindol-3-yl)methylidene]-1,3-dimethyl-2-sulfanylideneimidazolidin-4-one
CID 44714477
(5E)-3-ethyl-5-[(1-ethylindol-3-yl)methylidene]-1,3-thiazolidine-2,4-dione
CID 1210323
(5Z)-5-[(1-ethylindol-3-yl)methylidene]-3-(2-methylpropyl)-1,3-thiazolidine-2,4-dione
CID 126139555
(5Z)-5-[(1-ethylindol-3-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
CID 162786971
(5Z)-3-ethyl-1-methyl-5-[[1-(2-oxo-2-pyrrolidin-1-ylethyl)indol-3-yl]methylidene]-2-sulfanylideneimidazolidin-4-one
CID 44714409
5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-ethylimidazolidine-2,4-dione
CID 3906017
5-[(1-benzylindol-3-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1365164
(5E)-5-[[1-[(4-chlorophenyl)methyl]indol-3-yl]methylidene]-3-ethyl-1,3-thiazolidine-2,4-dione
CID 126079721
(5E)-1-(4-chlorophenyl)-5-[(1-ethylindol-3-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 1363624
5-[(1-ethylindol-3-yl)methylidene]-1-hexyl-1,3-diazinane-2,4,6-trione
CID 3831481
5-[(1-benzylindol-3-yl)methylidene]-1-ethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 1347542
(5E)-5-[(1-benzoylindol-3-yl)methylidene]-2-imino-1,3-dimethylimidazolidin-4-one
CID 10021303

Frequently Asked Questions

What is the IUPAC name of (5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one?
The IUPAC name of (5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one (CID 10041061) is (5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one.
What is the SMILES notation for (5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one?
The canonical SMILES for (5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one is [H]/N=C1\N(CC)C(=O)/C(=C\c2cn(CC)c3ccccc23)N1CC.
What is the InChIKey of (5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one?
The InChIKey is LMHIJLMRTWWPTQ-BDYZYUDZSA-N. The full InChI is InChI=1S/C18H22N4O/c1-4-20-12-13(14-9-7-8-10-15(14)20)11-16-17(23)22(6-3)18(19)21(16)5-2/h7-12,19H,4-6H2,1-3H3/b16-11+,19-18-.
What are the key properties of (5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one?
(5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one has a molecular weight of 310.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1,3-diethyl-5-[(1-ethylindol-3-yl)methylidene]-2-iminoimidazolidin-4-one is sourced from PubChem (CID 10041061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).