2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole

C23H20FN5O — CID 22380047

IUPAC2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3ncc(C)o3)ccc21
InChIInChI=1S/C23H20FN5O/c1-3-29-20-8-7-17(23-26-13-15(2)30-23)12-19(20)27-21(29)14-28-10-9-25-22(28)16-5-4-6-18(24)11-16/h4-13H,3,14H2,1-2H3
InChIKeySZWNRXBZUDSYSF-UHFFFAOYSA-N
MW401.45 g/mol
LogP5.07
Rot. Bonds5

About 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole

2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole (PubChem CID 22380047) has the molecular formula C23H20FN5O and a molecular weight of 401.45 g/mol. Its IUPAC name is 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole
PubChem CID22380047
Molecular FormulaC23H20FN5O
Molecular Weight401.45 g/mol
Exact Mass401.17
IUPAC Name2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3ncc(C)o3)ccc21
InChIInChI=1S/C23H20FN5O/c1-3-29-20-8-7-17(23-26-13-15(2)30-23)12-19(20)27-21(29)14-28-10-9-25-22(28)16-5-4-6-18(24)11-16/h4-13H,3,14H2,1-2H3
InChIKeySZWNRXBZUDSYSF-UHFFFAOYSA-N
XLogP5.07
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.45
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole (CID 22380047) is 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole is CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3ncc(C)o3)ccc21.
What is the InChIKey of 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole?
The InChIKey is SZWNRXBZUDSYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O/c1-3-29-20-8-7-17(23-26-13-15(2)30-23)12-19(20)27-21(29)14-28-10-9-25-22(28)16-5-4-6-18(24)11-16/h4-13H,3,14H2,1-2H3.
What are the key properties of 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole?
2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole has a molecular weight of 401.45 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 22380047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).