(5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione

C15H16N4O3 — CID 126236781

IUPAC(5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O
InChIInChI=1S/C15H16N4O3/c1-4-19-13(20)10(16-14(19)21)7-9-5-6-11-12(8-9)18(3)15(22)17(11)2/h5-8H,4H2,1-3H3,(H,16,21)/b10-7+
InChIKeyZUOBPVXLYQCIAK-JXMROGBWSA-N
MW300.32 g/mol
LogP0.79
Rot. Bonds2

About (5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione

(5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione (PubChem CID 126236781) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is (5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione
PubChem CID126236781
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name(5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione
SMILESCCN1C(=O)N/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O
InChIInChI=1S/C15H16N4O3/c1-4-19-13(20)10(16-14(19)21)7-9-5-6-11-12(8-9)18(3)15(22)17(11)2/h5-8H,4H2,1-3H3,(H,16,21)/b10-7+
InChIKeyZUOBPVXLYQCIAK-JXMROGBWSA-N
XLogP0.79
TPSA76.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[(4E)-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 6491963
(5Z)-5-[(3,4-dimethoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 5426863
(5Z)-3-ethyl-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
CID 126554488
(5Z)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
CID 126341899
5-[(3-ethoxy-4-methoxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 835219
2-[(4E)-4-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 126257287
(5Z)-3-ethyl-5-[(3-methoxy-4-propan-2-yloxyphenyl)methylidene]imidazolidine-2,4-dione
CID 5411340
5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 3458381
(5E)-5-[(4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126255528
(5E)-5-[(3,5-dibromo-4-hydroxyphenyl)methylidene]-3-ethylimidazolidine-2,4-dione
CID 126251195
(5E)-5-[(3-hydroxy-4-methoxyphenyl)methylidene]-3-propylimidazolidine-2,4-dione
CID 126226720
methyl 2-[2-ethoxy-4-[(E)-(1-ethyl-2,5-dioxoimidazolidin-4-ylidene)methyl]phenoxy]acetate
CID 126247792

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione?
The IUPAC name of (5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione (CID 126236781) is (5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione.
What is the SMILES notation for (5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione?
The canonical SMILES for (5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione is CCN1C(=O)N/C(=C/c2ccc3c(c2)n(C)c(=O)n3C)C1=O.
What is the InChIKey of (5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione?
The InChIKey is ZUOBPVXLYQCIAK-JXMROGBWSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-4-19-13(20)10(16-14(19)21)7-9-5-6-11-12(8-9)18(3)15(22)17(11)2/h5-8H,4H2,1-3H3,(H,16,21)/b10-7+.
What are the key properties of (5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione?
(5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione has a molecular weight of 300.32 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)methylidene]-3-ethylimidazolidine-2,4-dione is sourced from PubChem (CID 126236781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).