2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine

C21H20N4O — CID 50963555

IUPAC2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine
SMILESCc1cnc(Cn2cnc(-c3ccccc3)c2-c2cc(C)c(C)o2)cn1
InChIInChI=1S/C21H20N4O/c1-14-9-19(26-16(14)3)21-20(17-7-5-4-6-8-17)24-13-25(21)12-18-11-22-15(2)10-23-18/h4-11,13H,12H2,1-3H3
InChIKeyRSDLKKKPYJEMSS-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.57
Rot. Bonds4

About 2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine

2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine (PubChem CID 50963555) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine.

Molecular Properties

Compound Name2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine
PubChem CID50963555
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine
SMILESCc1cnc(Cn2cnc(-c3ccccc3)c2-c2cc(C)c(C)o2)cn1
InChIInChI=1S/C21H20N4O/c1-14-9-19(26-16(14)3)21-20(17-7-5-4-6-8-17)24-13-25(21)12-18-11-22-15(2)10-23-18/h4-11,13H,12H2,1-3H3
InChIKeyRSDLKKKPYJEMSS-UHFFFAOYSA-N
XLogP4.57
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine?
The IUPAC name of 2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine (CID 50963555) is 2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine.
What is the SMILES notation for 2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine?
The canonical SMILES for 2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine is Cc1cnc(Cn2cnc(-c3ccccc3)c2-c2cc(C)c(C)o2)cn1.
What is the InChIKey of 2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine?
The InChIKey is RSDLKKKPYJEMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-14-9-19(26-16(14)3)21-20(17-7-5-4-6-8-17)24-13-25(21)12-18-11-22-15(2)10-23-18/h4-11,13H,12H2,1-3H3.
What are the key properties of 2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine?
2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine has a molecular weight of 344.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(4,5-dimethylfuran-2-yl)-4-phenylimidazol-1-yl]methyl]-5-methylpyrazine is sourced from PubChem (CID 50963555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).