5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole

C19H18N4O — CID 50967044

IUPAC5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole
SMILESCCc1ccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)o1
InChIInChI=1S/C19H18N4O/c1-2-15-8-9-16(24-15)19-18(14-6-4-3-5-7-14)22-13-23(19)12-17-20-10-11-21-17/h3-11,13H,2,12H2,1H3,(H,20,21)
InChIKeySTYJKCHIYSMDFZ-UHFFFAOYSA-N
MW318.38 g/mol
LogP4.14
Rot. Bonds5

About 5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole

5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole (PubChem CID 50967044) has the molecular formula C19H18N4O and a molecular weight of 318.38 g/mol. Its IUPAC name is 5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole.

Molecular Properties

Compound Name5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole
PubChem CID50967044
Molecular FormulaC19H18N4O
Molecular Weight318.38 g/mol
Exact Mass318.15
IUPAC Name5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole
SMILESCCc1ccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)o1
InChIInChI=1S/C19H18N4O/c1-2-15-8-9-16(24-15)19-18(14-6-4-3-5-7-14)22-13-23(19)12-17-20-10-11-21-17/h3-11,13H,2,12H2,1H3,(H,20,21)
InChIKeySTYJKCHIYSMDFZ-UHFFFAOYSA-N
XLogP4.14
TPSA59.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole?
The IUPAC name of 5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole (CID 50967044) is 5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole.
What is the SMILES notation for 5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole?
The canonical SMILES for 5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole is CCc1ccc(-c2c(-c3ccccc3)ncn2Cc2ncc[nH]2)o1.
What is the InChIKey of 5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole?
The InChIKey is STYJKCHIYSMDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O/c1-2-15-8-9-16(24-15)19-18(14-6-4-3-5-7-14)22-13-23(19)12-17-20-10-11-21-17/h3-11,13H,2,12H2,1H3,(H,20,21).
What are the key properties of 5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole?
5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole has a molecular weight of 318.38 g/mol, XLogP of 4.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethylfuran-2-yl)-1-(1H-imidazol-2-ylmethyl)-4-phenylimidazole is sourced from PubChem (CID 50967044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).