3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine

C21H20F2N4O — CID 118235658

IUPAC3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2ccc(-c3cnc(C)n3C)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C21H20F2N4O/c1-13-17(10-15-6-4-5-7-19(15)28-21(22)23)27-12-16(8-9-20(27)25-13)18-11-24-14(2)26(18)3/h4-9,11-12,21H,10H2,1-3H3
InChIKeyKISIJGQSBNUEQA-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.54
Rot. Bonds5

About 3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine

3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine (PubChem CID 118235658) has the molecular formula C21H20F2N4O and a molecular weight of 382.41 g/mol. Its IUPAC name is 3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine
PubChem CID118235658
Molecular FormulaC21H20F2N4O
Molecular Weight382.41 g/mol
Exact Mass382.16
IUPAC Name3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine
SMILESCc1nc2ccc(-c3cnc(C)n3C)cn2c1Cc1ccccc1OC(F)F
InChIInChI=1S/C21H20F2N4O/c1-13-17(10-15-6-4-5-7-19(15)28-21(22)23)27-12-16(8-9-20(27)25-13)18-11-24-14(2)26(18)3/h4-9,11-12,21H,10H2,1-3H3
InChIKeyKISIJGQSBNUEQA-UHFFFAOYSA-N
XLogP4.54
TPSA44.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine?
The IUPAC name of 3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine (CID 118235658) is 3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine is Cc1nc2ccc(-c3cnc(C)n3C)cn2c1Cc1ccccc1OC(F)F.
What is the InChIKey of 3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine?
The InChIKey is KISIJGQSBNUEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N4O/c1-13-17(10-15-6-4-5-7-19(15)28-21(22)23)27-12-16(8-9-20(27)25-13)18-11-24-14(2)26(18)3/h4-9,11-12,21H,10H2,1-3H3.
What are the key properties of 3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine?
3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine has a molecular weight of 382.41 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(difluoromethoxy)phenyl]methyl]-6-(2,3-dimethylimidazol-4-yl)-2-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 118235658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).