(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one

C16H14N2O3 — CID 134145010

IUPAC(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
SMILESCOc1ccc(OC)c(/C=C2\N=C3C=CC=CN3C2=O)c1
InChIInChI=1S/C16H14N2O3/c1-20-12-6-7-14(21-2)11(9-12)10-13-16(19)18-8-4-3-5-15(18)17-13/h3-10H,1-2H3/b13-10-
InChIKeyRCJHXKCUVVSENC-RAXLEYEMSA-N
MW282.30 g/mol
LogP2.37
Rot. Bonds3

About (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one

(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one (PubChem CID 134145010) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
PubChem CID134145010
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
SMILESCOc1ccc(OC)c(/C=C2\N=C3C=CC=CN3C2=O)c1
InChIInChI=1S/C16H14N2O3/c1-20-12-6-7-14(21-2)11(9-12)10-13-16(19)18-8-4-3-5-15(18)17-13/h3-10H,1-2H3/b13-10-
InChIKeyRCJHXKCUVVSENC-RAXLEYEMSA-N
XLogP2.37
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one?
The IUPAC name of (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one (CID 134145010) is (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one.
What is the SMILES notation for (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one?
The canonical SMILES for (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one is COc1ccc(OC)c(/C=C2\N=C3C=CC=CN3C2=O)c1.
What is the InChIKey of (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one?
The InChIKey is RCJHXKCUVVSENC-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H14N2O3/c1-20-12-6-7-14(21-2)11(9-12)10-13-16(19)18-8-4-3-5-15(18)17-13/h3-10H,1-2H3/b13-10-.
What are the key properties of (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one?
(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one has a molecular weight of 282.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(2,5-dimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one is sourced from PubChem (CID 134145010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).