(5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione

C18H14N4O2 — CID 177495034

IUPAC(5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2c(-c3ccccc3)nc3ccccn23)C1=O
InChIInChI=1S/C18H14N4O2/c1-21-17(23)13(19-18(21)24)11-14-16(12-7-3-2-4-8-12)20-15-9-5-6-10-22(14)15/h2-11H,1H3,(H,19,24)/b13-11+
InChIKeyAUYCIHMZBLDVQQ-ACCUITESSA-N
MW318.34 g/mol
LogP2.52
Rot. Bonds2

About (5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione

(5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione (PubChem CID 177495034) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is (5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione
PubChem CID177495034
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name(5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione
SMILESCN1C(=O)N/C(=C/c2c(-c3ccccc3)nc3ccccn23)C1=O
InChIInChI=1S/C18H14N4O2/c1-21-17(23)13(19-18(21)24)11-14-16(12-7-3-2-4-8-12)20-15-9-5-6-10-22(14)15/h2-11H,1H3,(H,19,24)/b13-11+
InChIKeyAUYCIHMZBLDVQQ-ACCUITESSA-N
XLogP2.52
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]propanedinitrile
CID 5111894
(E)-3-[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195818
5-(isoquinolin-4-ylmethylidene)-3-methylimidazolidine-2,4-dione
CID 156538083
(E)-3-[2-(4-propoxyphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195836
3-(dideuteriomethyl)-2-phenylimidazo[1,2-a]pyridine
CID 66561866
(2-phenylimidazo[1,2-a]pyridin-3-yl)methanol
CID 15455971
2-(4-fluorophenyl)-3-phenylimidazo[1,2-a]pyridine
CID 10779709
4-(2-phenylimidazo[1,2-a]pyridin-3-yl)aniline
CID 71460237
(E)-3-[2-(4-chloro-3-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 39195829
trimethyl-[2-(2-phenylimidazo[1,2-a]pyridin-3-yl)ethynyl]silane
CID 155716190
(Z)-3-[2-(3-nitrophenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
CID 92908083
2-(2-methylphenyl)imidazo[1,2-a]pyridine-3-carbaldehyde
CID 6991926

Frequently Asked Questions

What is the IUPAC name of (5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione?
The IUPAC name of (5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione (CID 177495034) is (5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione.
What is the SMILES notation for (5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione?
The canonical SMILES for (5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione is CN1C(=O)N/C(=C/c2c(-c3ccccc3)nc3ccccn23)C1=O.
What is the InChIKey of (5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione?
The InChIKey is AUYCIHMZBLDVQQ-ACCUITESSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-21-17(23)13(19-18(21)24)11-14-16(12-7-3-2-4-8-12)20-15-9-5-6-10-22(14)15/h2-11H,1H3,(H,19,24)/b13-11+.
What are the key properties of (5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione?
(5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione has a molecular weight of 318.34 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methyl-5-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 177495034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).