4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole

C19H20F2N4O — CID 169421846

IUPAC4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole
SMILESCCn1ccnc1-c1c(-c2ccc(F)c(F)c2)ncn1C1CCOCC1
InChIInChI=1S/C19H20F2N4O/c1-2-24-8-7-22-19(24)18-17(13-3-4-15(20)16(21)11-13)23-12-25(18)14-5-9-26-10-6-14/h3-4,7-8,11-12,14H,2,5-6,9-10H2,1H3
InChIKeyLJGXYQVTVGIINR-UHFFFAOYSA-N
MW358.39 g/mol
LogP4.06
Rot. Bonds4

About 4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole

4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole (PubChem CID 169421846) has the molecular formula C19H20F2N4O and a molecular weight of 358.39 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole
PubChem CID169421846
Molecular FormulaC19H20F2N4O
Molecular Weight358.39 g/mol
Exact Mass358.16
IUPAC Name4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole
SMILESCCn1ccnc1-c1c(-c2ccc(F)c(F)c2)ncn1C1CCOCC1
InChIInChI=1S/C19H20F2N4O/c1-2-24-8-7-22-19(24)18-17(13-3-4-15(20)16(21)11-13)23-12-25(18)14-5-9-26-10-6-14/h3-4,7-8,11-12,14H,2,5-6,9-10H2,1H3
InChIKeyLJGXYQVTVGIINR-UHFFFAOYSA-N
XLogP4.06
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole?
The IUPAC name of 4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole (CID 169421846) is 4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole.
What is the SMILES notation for 4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole?
The canonical SMILES for 4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole is CCn1ccnc1-c1c(-c2ccc(F)c(F)c2)ncn1C1CCOCC1.
What is the InChIKey of 4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole?
The InChIKey is LJGXYQVTVGIINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N4O/c1-2-24-8-7-22-19(24)18-17(13-3-4-15(20)16(21)11-13)23-12-25(18)14-5-9-26-10-6-14/h3-4,7-8,11-12,14H,2,5-6,9-10H2,1H3.
What are the key properties of 4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole?
4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole has a molecular weight of 358.39 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-5-(1-ethylimidazol-2-yl)-1-(oxan-4-yl)imidazole is sourced from PubChem (CID 169421846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).