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

C13H14N4O2 — CID 115576185

IUPAC1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one
SMILESCCn1c(=O)n(Cc2nnc(C)o2)c2ccccc21
InChIInChI=1S/C13H14N4O2/c1-3-16-10-6-4-5-7-11(10)17(13(16)18)8-12-15-14-9(2)19-12/h4-7H,3,8H2,1-2H3
InChIKeyOZPQDDPRZVCBAZ-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.56
Rot. Bonds3

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

1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one (PubChem CID 115576185) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one
PubChem CID115576185
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one
SMILESCCn1c(=O)n(Cc2nnc(C)o2)c2ccccc21
InChIInChI=1S/C13H14N4O2/c1-3-16-10-6-4-5-7-11(10)17(13(16)18)8-12-15-14-9(2)19-12/h4-7H,3,8H2,1-2H3
InChIKeyOZPQDDPRZVCBAZ-UHFFFAOYSA-N
XLogP1.56
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3-ethylbenzimidazol-2-one
CID 22558159
5-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-4-phenyl-1,3-thiazol-2-one
CID 71852640
1-ethyl-3-[(1-methyltriazol-4-yl)methyl]benzimidazol-2-one
CID 103866266
2-[[2-(1-ethylbenzimidazol-2-yl)pyrrolidin-1-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 71974479
2-(1-ethylindol-2-yl)-5-methyl-1,3,4-oxadiazole
CID 40693672
1-ethyl-3-(methoxymethyl)benzimidazol-2-one
CID 116621234
2-(3-ethyl-2-oxobenzimidazol-1-yl)acetaldehyde
CID 58710654
1-[(5-bromo-2-pyridinyl)methyl]-3-ethylbenzimidazol-2-one
CID 116621225
2-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indol-3-yl]acetic acid
CID 28783031
1-ethyl-3-(2-ethylbutyl)benzimidazol-2-one
CID 116621288
1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one
CID 115576479
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]indole-3-sulfonyl chloride
CID 107915023

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one?
The IUPAC name of 1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one (CID 115576185) is 1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one?
The canonical SMILES for 1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one is CCn1c(=O)n(Cc2nnc(C)o2)c2ccccc21.
What is the InChIKey of 1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one?
The InChIKey is OZPQDDPRZVCBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-3-16-10-6-4-5-7-11(10)17(13(16)18)8-12-15-14-9(2)19-12/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one?
1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one has a molecular weight of 258.28 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]benzimidazol-2-one is sourced from PubChem (CID 115576185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).