(2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one

C15H12N2O2 — CID 134157234

IUPAC(2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
SMILESCOc1cccc(/C=C2\N=C3C=CC=CN3C2=O)c1
InChIInChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)10-13-15(18)17-8-3-2-7-14(17)16-13/h2-10H,1H3/b13-10-
InChIKeyQKELTBDHQCZECM-RAXLEYEMSA-N
MW252.27 g/mol
LogP2.36
Rot. Bonds2

About (2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one

(2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one (PubChem CID 134157234) has the molecular formula C15H12N2O2 and a molecular weight of 252.27 g/mol. Its IUPAC name is (2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
PubChem CID134157234
Molecular FormulaC15H12N2O2
Molecular Weight252.27 g/mol
Exact Mass252.09
IUPAC Name(2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
SMILESCOc1cccc(/C=C2\N=C3C=CC=CN3C2=O)c1
InChIInChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)10-13-15(18)17-8-3-2-7-14(17)16-13/h2-10H,1H3/b13-10-
InChIKeyQKELTBDHQCZECM-RAXLEYEMSA-N
XLogP2.36
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 10848404
(2E)-2-(4-methoxybenzylidene)-2,5,6,7,8,9-hexahydro-3H-imidazo[1,2-a]azepin-3-one
CID 2324258
(2Z)-2-[(4-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 2324259
(2Z)-2-[(3-methoxyphenyl)methylidene]-6,7,8,9-tetrahydro-5H-imidazo[1,2-a]azepin-3-one
CID 2331276
2-[(4Z)-4-[(4-methoxyphenyl)methylidene]-2-methyl-5-oxoimidazol-1-yl]acetic acid
CID 12536185
(2Z)-2-[(4-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 101896503
(2Z)-6-chloro-2-[(4-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 134134206
(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 134145010
(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 134145196
(2Z)-2-[(4-methoxyphenyl)methylidene]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-one
CID 2512881
(2Z)-7-methoxy-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 168270131
(2Z)-8-hydroxy-2-[(4-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
CID 168273851

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one?
The IUPAC name of (2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one (CID 134157234) is (2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one.
What is the SMILES notation for (2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one?
The canonical SMILES for (2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one is COc1cccc(/C=C2\N=C3C=CC=CN3C2=O)c1.
What is the InChIKey of (2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one?
The InChIKey is QKELTBDHQCZECM-RAXLEYEMSA-N. The full InChI is InChI=1S/C15H12N2O2/c1-19-12-6-4-5-11(9-12)10-13-15(18)17-8-3-2-7-14(17)16-13/h2-10H,1H3/b13-10-.
What are the key properties of (2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one?
(2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one has a molecular weight of 252.27 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3-methoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one is sourced from PubChem (CID 134157234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).