1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole

C19H16N6O2 — CID 135908047

IUPAC1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole
SMILESCOc1ccc(-n2ccnc2-c2nc3c(cnn3Cc3ccco3)[nH]2)cc1
InChIInChI=1S/C19H16N6O2/c1-26-14-6-4-13(5-7-14)24-9-8-20-19(24)17-22-16-11-21-25(18(16)23-17)12-15-3-2-10-27-15/h2-11H,12H2,1H3,(H,22,23)
InChIKeyCOJZJROENUMLMR-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.26
Rot. Bonds5

About 1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole

1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole (PubChem CID 135908047) has the molecular formula C19H16N6O2 and a molecular weight of 360.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole
PubChem CID135908047
Molecular FormulaC19H16N6O2
Molecular Weight360.38 g/mol
Exact Mass360.13
IUPAC Name1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole
SMILESCOc1ccc(-n2ccnc2-c2nc3c(cnn3Cc3ccco3)[nH]2)cc1
InChIInChI=1S/C19H16N6O2/c1-26-14-6-4-13(5-7-14)24-9-8-20-19(24)17-22-16-11-21-25(18(16)23-17)12-15-3-2-10-27-15/h2-11H,12H2,1H3,(H,22,23)
InChIKeyCOJZJROENUMLMR-UHFFFAOYSA-N
XLogP3.26
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole?
The IUPAC name of 1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole (CID 135908047) is 1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole is COc1ccc(-n2ccnc2-c2nc3c(cnn3Cc3ccco3)[nH]2)cc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole?
The InChIKey is COJZJROENUMLMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O2/c1-26-14-6-4-13(5-7-14)24-9-8-20-19(24)17-22-16-11-21-25(18(16)23-17)12-15-3-2-10-27-15/h2-11H,12H2,1H3,(H,22,23).
What are the key properties of 1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole?
1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole has a molecular weight of 360.38 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-[1-(4-methoxyphenyl)imidazol-2-yl]-4H-imidazo[4,5-d]pyrazole is sourced from PubChem (CID 135908047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).