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

C19H18N4O2 — CID 53033621

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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Related Compounds

3-ethyl-6-(5-pyridin-4-yl-1,2,4-oxadiazol-3-yl)-1H-benzimidazol-2-one
CID 53065719
6-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-3-ethyl-1H-benzimidazol-2-one
CID 53033622
6-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-propyl-1H-benzimidazol-2-one
CID 53065834
7-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione
CID 53065581
N-[4-[3-(2-oxo-1-propyl-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53065842
7-[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]-4-ethyl-1H-quinoxaline-2,3-dione
CID 53005944
3-ethyl-6-[5-(5-oxo-1-phenylpyrrolidin-3-yl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-one
CID 53065702
N-[5-[3-(1-cyclopentyl-2-oxo-3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]acetamide
CID 53065857
7-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione
CID 53065561
7-(5-phenyl-1,2,4-oxadiazol-3-yl)-4-propyl-1H-quinoxaline-2,3-dione
CID 53065576
7-[5-(3-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-4-propyl-1H-quinoxaline-2,3-dione
CID 53065530
6-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 53065761

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).