5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

C18H17N5O — CID 8892637

IUPAC5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESCCn1c(C)nc2cc(-c3nnc(Nc4ccccc4)o3)ccc21
InChIInChI=1S/C18H17N5O/c1-3-23-12(2)19-15-11-13(9-10-16(15)23)17-21-22-18(24-17)20-14-7-5-4-6-8-14/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyGARWYCIEUZIZQF-UHFFFAOYSA-N
MW319.37 g/mol
LogP4.16
Rot. Bonds4

About 5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine

5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine (PubChem CID 8892637) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
PubChem CID8892637
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine
SMILESCCn1c(C)nc2cc(-c3nnc(Nc4ccccc4)o3)ccc21
InChIInChI=1S/C18H17N5O/c1-3-23-12(2)19-15-11-13(9-10-16(15)23)17-21-22-18(24-17)20-14-7-5-4-6-8-14/h4-11H,3H2,1-2H3,(H,20,22)
InChIKeyGARWYCIEUZIZQF-UHFFFAOYSA-N
XLogP4.16
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine (CID 8892637) is 5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine is CCn1c(C)nc2cc(-c3nnc(Nc4ccccc4)o3)ccc21.
What is the InChIKey of 5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine?
The InChIKey is GARWYCIEUZIZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c1-3-23-12(2)19-15-11-13(9-10-16(15)23)17-21-22-18(24-17)20-14-7-5-4-6-8-14/h4-11H,3H2,1-2H3,(H,20,22).
What are the key properties of 5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine?
5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine has a molecular weight of 319.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-2-methylbenzimidazol-5-yl)-N-phenyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 8892637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).