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

C12H12N4O2 — CID 116621162

IUPAC1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one
SMILESCc1nonc1Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C12H12N4O2/c1-8-9(14-18-13-8)7-16-11-6-4-3-5-10(11)15(2)12(16)17/h3-6H,7H2,1-2H3
InChIKeyUTPJEGFKOHYDFW-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.08
Rot. Bonds2

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

1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one (PubChem CID 116621162) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one
PubChem CID116621162
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one
SMILESCc1nonc1Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C12H12N4O2/c1-8-9(14-18-13-8)7-16-11-6-4-3-5-10(11)15(2)12(16)17/h3-6H,7H2,1-2H3
InChIKeyUTPJEGFKOHYDFW-UHFFFAOYSA-N
XLogP1.08
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]quinoxalin-2-one
CID 72940907
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one
CID 113220147
1-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]pyridin-2-one
CID 116618483
1-methyl-3-(3-methylbutyl)benzimidazol-2-one
CID 115685391
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one
CID 24609407
1-[[4-(bromomethyl)phenyl]methyl]-3-methylbenzimidazol-2-one
CID 142914206
1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
CID 115761324
1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one
CID 106869994
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one
CID 115978272
4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzoic acid
CID 43628513
1-[(2,3-dichlorophenyl)methyl]-3-methylbenzimidazol-2-one
CID 107310149

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one (CID 116621162) is 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one is Cc1nonc1Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one?
The InChIKey is UTPJEGFKOHYDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-9(14-18-13-8)7-16-11-6-4-3-5-10(11)15(2)12(16)17/h3-6H,7H2,1-2H3.
What are the key properties of 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one?
1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one has a molecular weight of 244.25 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one is sourced from PubChem (CID 116621162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).