2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

C21H21FN2 — CID 69398542

IUPAC2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2ccc(-c3cn4c(n3)CCCC4)cc2F)cc1C
InChIInChI=1S/C21H21FN2/c1-14-6-7-16(11-15(14)2)18-9-8-17(12-19(18)22)20-13-24-10-4-3-5-21(24)23-20/h6-9,11-13H,3-5,10H2,1-2H3
InChIKeyCKEDWAZFSZYLNO-UHFFFAOYSA-N
MW320.41 g/mol
LogP5.31
Rot. Bonds2

About 2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine

2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (PubChem CID 69398542) has the molecular formula C21H21FN2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
PubChem CID69398542
Molecular FormulaC21H21FN2
Molecular Weight320.41 g/mol
Exact Mass320.17
IUPAC Name2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
SMILESCc1ccc(-c2ccc(-c3cn4c(n3)CCCC4)cc2F)cc1C
InChIInChI=1S/C21H21FN2/c1-14-6-7-16(11-15(14)2)18-9-8-17(12-19(18)22)20-13-24-10-4-3-5-21(24)23-20/h6-9,11-13H,3-5,10H2,1-2H3
InChIKeyCKEDWAZFSZYLNO-UHFFFAOYSA-N
XLogP5.31
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine (CID 69398542) is 2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is Cc1ccc(-c2ccc(-c3cn4c(n3)CCCC4)cc2F)cc1C.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
The InChIKey is CKEDWAZFSZYLNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2/c1-14-6-7-16(11-15(14)2)18-9-8-17(12-19(18)22)20-13-24-10-4-3-5-21(24)23-20/h6-9,11-13H,3-5,10H2,1-2H3.
What are the key properties of 2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine?
2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine has a molecular weight of 320.41 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dimethylphenyl)-3-fluorophenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 69398542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).