(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one

C17H16N2O4 — CID 134145196

IUPAC(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
SMILESCOc1cc(/C=C2\N=C3C=CC=CN3C2=O)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4/c1-21-13-9-11(10-14(22-2)16(13)23-3)8-12-17(20)19-7-5-4-6-15(19)18-12/h4-10H,1-3H3/b12-8-
InChIKeyRJQWQFZRUSDKDK-WQLSENKSSA-N
MW312.33 g/mol
LogP2.38
Rot. Bonds4

About (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one

(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one (PubChem CID 134145196) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one.

Molecular Properties

Compound Name(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
PubChem CID134145196
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one
SMILESCOc1cc(/C=C2\N=C3C=CC=CN3C2=O)cc(OC)c1OC
InChIInChI=1S/C17H16N2O4/c1-21-13-9-11(10-14(22-2)16(13)23-3)8-12-17(20)19-7-5-4-6-15(19)18-12/h4-10H,1-3H3/b12-8-
InChIKeyRJQWQFZRUSDKDK-WQLSENKSSA-N
XLogP2.38
TPSA60.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one?
The IUPAC name of (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one (CID 134145196) is (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one.
What is the SMILES notation for (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one?
The canonical SMILES for (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one is COc1cc(/C=C2\N=C3C=CC=CN3C2=O)cc(OC)c1OC.
What is the InChIKey of (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one?
The InChIKey is RJQWQFZRUSDKDK-WQLSENKSSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-21-13-9-11(10-14(22-2)16(13)23-3)8-12-17(20)19-7-5-4-6-15(19)18-12/h4-10H,1-3H3/b12-8-.
What are the key properties of (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one?
(2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one has a molecular weight of 312.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(3,4,5-trimethoxyphenyl)methylidene]imidazo[1,2-a]pyridin-3-one is sourced from PubChem (CID 134145196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).