7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine

C22H18N4O3 — CID 46950791

IUPAC7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine
SMILESCOc1ccc(-c2cn3c(-c4ccc(C)o4)c(-c4ccc(C)o4)nnc3n2)cc1
InChIInChI=1S/C22H18N4O3/c1-13-4-10-18(28-13)20-21(19-11-5-14(2)29-19)26-12-17(23-22(26)25-24-20)15-6-8-16(27-3)9-7-15/h4-12H,1-3H3
InChIKeyFZGLQWMLWMKWOX-UHFFFAOYSA-N
MW386.41 g/mol
LogP4.94
Rot. Bonds4

About 7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine

7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine (PubChem CID 46950791) has the molecular formula C22H18N4O3 and a molecular weight of 386.41 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine
PubChem CID46950791
Molecular FormulaC22H18N4O3
Molecular Weight386.41 g/mol
Exact Mass386.14
IUPAC Name7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine
SMILESCOc1ccc(-c2cn3c(-c4ccc(C)o4)c(-c4ccc(C)o4)nnc3n2)cc1
InChIInChI=1S/C22H18N4O3/c1-13-4-10-18(28-13)20-21(19-11-5-14(2)29-19)26-12-17(23-22(26)25-24-20)15-6-8-16(27-3)9-7-15/h4-12H,1-3H3
InChIKeyFZGLQWMLWMKWOX-UHFFFAOYSA-N
XLogP4.94
TPSA78.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine?
The IUPAC name of 7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine (CID 46950791) is 7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine.
What is the SMILES notation for 7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine?
The canonical SMILES for 7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine is COc1ccc(-c2cn3c(-c4ccc(C)o4)c(-c4ccc(C)o4)nnc3n2)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine?
The InChIKey is FZGLQWMLWMKWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3/c1-13-4-10-18(28-13)20-21(19-11-5-14(2)29-19)26-12-17(23-22(26)25-24-20)15-6-8-16(27-3)9-7-15/h4-12H,1-3H3.
What are the key properties of 7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine?
7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine has a molecular weight of 386.41 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-3,4-bis(5-methylfuran-2-yl)imidazo[2,1-c][1,2,4]triazine is sourced from PubChem (CID 46950791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).