4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C24H22FN5O — CID 22380145

IUPAC4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3c(C)noc3C)ccc21
InChIInChI=1S/C24H22FN5O/c1-4-30-21-9-8-17(23-15(2)28-31-16(23)3)13-20(21)27-22(30)14-29-11-10-26-24(29)18-6-5-7-19(25)12-18/h5-13H,4,14H2,1-3H3
InChIKeyZNSCATLOJNSTEO-UHFFFAOYSA-N
MW415.47 g/mol
LogP5.38
Rot. Bonds5

About 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 22380145) has the molecular formula C24H22FN5O and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID22380145
Molecular FormulaC24H22FN5O
Molecular Weight415.47 g/mol
Exact Mass415.18
IUPAC Name4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3c(C)noc3C)ccc21
InChIInChI=1S/C24H22FN5O/c1-4-30-21-9-8-17(23-15(2)28-31-16(23)3)13-20(21)27-22(30)14-29-11-10-26-24(29)18-6-5-7-19(25)12-18/h5-13H,4,14H2,1-3H3
InChIKeyZNSCATLOJNSTEO-UHFFFAOYSA-N
XLogP5.38
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.47
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 22380145) is 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3c(C)noc3C)ccc21.
What is the InChIKey of 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is ZNSCATLOJNSTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O/c1-4-30-21-9-8-17(23-15(2)28-31-16(23)3)13-20(21)27-22(30)14-29-11-10-26-24(29)18-6-5-7-19(25)12-18/h5-13H,4,14H2,1-3H3.
What are the key properties of 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 415.47 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 22380145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).