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6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one

C19H18N4O2 — CID 53033621

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(-c3noc(-c4ccc(C)c(C)c4)n3)ccc21
InChIInChI=1S/C19H18N4O2/c1-4-23-16-8-7-13(10-15(16)20-19(23)24)17-21-18(25-22-17)14-6-5-11(2)12(3)9-14/h5-10H,4H2,1-3H3,(H,20,24)
InChIKeyAVBPVUHGRHIBRQ-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.68
Rot. Bonds3

About 6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one

6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one (PubChem CID 53033621) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one
PubChem CID53033621
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one
SMILESCCn1c(=O)[nH]c2cc(-c3noc(-c4ccc(C)c(C)c4)n3)ccc21
InChIInChI=1S/C19H18N4O2/c1-4-23-16-8-7-13(10-15(16)20-19(23)24)17-21-18(25-22-17)14-6-5-11(2)12(3)9-14/h5-10H,4H2,1-3H3,(H,20,24)
InChIKeyAVBPVUHGRHIBRQ-UHFFFAOYSA-N
XLogP3.68
TPSA76.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one?
The IUPAC name of 6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one (CID 53033621) is 6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one?
The canonical SMILES for 6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one is CCn1c(=O)[nH]c2cc(-c3noc(-c4ccc(C)c(C)c4)n3)ccc21.
What is the InChIKey of 6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one?
The InChIKey is AVBPVUHGRHIBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-4-23-16-8-7-13(10-15(16)20-19(23)24)17-21-18(25-22-17)14-6-5-11(2)12(3)9-14/h5-10H,4H2,1-3H3,(H,20,24).
What are the key properties of 6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one?
6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one has a molecular weight of 334.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(3,4-dimethylphenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one is sourced from PubChem (CID 53033621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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