7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine

C21H22N2O2 — CID 174194024

IUPAC7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3ccc(C4=CCCCC4)cc3n2)cc1OC
InChIInChI=1S/C21H22N2O2/c1-24-19-9-8-17(12-20(19)25-2)18-14-23-11-10-16(13-21(23)22-18)15-6-4-3-5-7-15/h6,8-14H,3-5,7H2,1-2H3
InChIKeyQLFHZLGMBGGOES-UHFFFAOYSA-N
MW334.42 g/mol
LogP4.98
Rot. Bonds4

About 7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine

7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine (PubChem CID 174194024) has the molecular formula C21H22N2O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
PubChem CID174194024
Molecular FormulaC21H22N2O2
Molecular Weight334.42 g/mol
Exact Mass334.17
IUPAC Name7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3ccc(C4=CCCCC4)cc3n2)cc1OC
InChIInChI=1S/C21H22N2O2/c1-24-19-9-8-17(12-20(19)25-2)18-14-23-11-10-16(13-21(23)22-18)15-6-4-3-5-7-15/h6,8-14H,3-5,7H2,1-2H3
InChIKeyQLFHZLGMBGGOES-UHFFFAOYSA-N
XLogP4.98
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
The IUPAC name of 7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine (CID 174194024) is 7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine is COc1ccc(-c2cn3ccc(C4=CCCCC4)cc3n2)cc1OC.
What is the InChIKey of 7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
The InChIKey is QLFHZLGMBGGOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O2/c1-24-19-9-8-17(12-20(19)25-2)18-14-23-11-10-16(13-21(23)22-18)15-6-4-3-5-7-15/h6,8-14H,3-5,7H2,1-2H3.
What are the key properties of 7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine?
7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine has a molecular weight of 334.42 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclohexen-1-yl)-2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 174194024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).