2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole

C20H16N2O — CID 15129898

IUPAC2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole
SMILESCn1c(-c2ccco2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H16N2O/c1-22-19(16-11-6-3-7-12-16)18(15-9-4-2-5-10-15)21-20(22)17-13-8-14-23-17/h2-14H,1H3
InChIKeyJOHGSKAUEPATBN-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.01
Rot. Bonds3

About 2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole

2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole (PubChem CID 15129898) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole.

Molecular Properties

Compound Name2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole
PubChem CID15129898
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole
SMILESCn1c(-c2ccco2)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C20H16N2O/c1-22-19(16-11-6-3-7-12-16)18(15-9-4-2-5-10-15)21-20(22)17-13-8-14-23-17/h2-14H,1H3
InChIKeyJOHGSKAUEPATBN-UHFFFAOYSA-N
XLogP5.01
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole?
The IUPAC name of 2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole (CID 15129898) is 2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole.
What is the SMILES notation for 2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole?
The canonical SMILES for 2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole is Cn1c(-c2ccco2)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole?
The InChIKey is JOHGSKAUEPATBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-22-19(16-11-6-3-7-12-16)18(15-9-4-2-5-10-15)21-20(22)17-13-8-14-23-17/h2-14H,1H3.
What are the key properties of 2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole?
2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole has a molecular weight of 300.36 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole is sourced from PubChem (CID 15129898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).