4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

C20H18FN3O — CID 141414014

IUPAC4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(C(C)c2ccc(F)cc2)c2nc[nH]c2c1
InChIInChI=1S/C20H18FN3O/c1-11(14-4-6-16(21)7-5-14)17-8-15(9-18-20(17)23-10-22-18)19-12(2)24-25-13(19)3/h4-11H,1-3H3,(H,22,23)
InChIKeyMXZASNAEIWRIMO-UHFFFAOYSA-N
MW335.38 g/mol
LogP5.13
Rot. Bonds3

About 4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole

4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (PubChem CID 141414014) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
PubChem CID141414014
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(C(C)c2ccc(F)cc2)c2nc[nH]c2c1
InChIInChI=1S/C20H18FN3O/c1-11(14-4-6-16(21)7-5-14)17-8-15(9-18-20(17)23-10-22-18)19-12(2)24-25-13(19)3/h4-11H,1-3H3,(H,22,23)
InChIKeyMXZASNAEIWRIMO-UHFFFAOYSA-N
XLogP5.13
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.38
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole (CID 141414014) is 4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1cc(C(C)c2ccc(F)cc2)c2nc[nH]c2c1.
What is the InChIKey of 4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is MXZASNAEIWRIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c1-11(14-4-6-16(21)7-5-14)17-8-15(9-18-20(17)23-10-22-18)19-12(2)24-25-13(19)3/h4-11H,1-3H3,(H,22,23).
What are the key properties of 4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole?
4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 335.38 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[1-(4-fluorophenyl)ethyl]-3H-benzimidazol-5-yl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 141414014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).