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

C13H13N3O2 — CID 113220147

IUPAC1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one
SMILESCc1cc(Cn2c(=O)n(C)c3ccccc32)on1
InChIInChI=1S/C13H13N3O2/c1-9-7-10(18-14-9)8-16-12-6-4-3-5-11(12)15(2)13(16)17/h3-7H,8H2,1-2H3
InChIKeyLKFJOMMXKDKZFU-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.68
Rot. Bonds2

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

1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one (PubChem CID 113220147) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one
PubChem CID113220147
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one
SMILESCc1cc(Cn2c(=O)n(C)c3ccccc32)on1
InChIInChI=1S/C13H13N3O2/c1-9-7-10(18-14-9)8-16-12-6-4-3-5-11(12)15(2)13(16)17/h3-7H,8H2,1-2H3
InChIKeyLKFJOMMXKDKZFU-UHFFFAOYSA-N
XLogP1.68
TPSA52.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]benzimidazole-2-thione
CID 30139703
1-methyl-3-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]benzimidazol-2-one
CID 116621162
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-methylbenzimidazol-2-one
CID 24609407
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-7-(trifluoromethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 33365682
1-[(2-chloro-4-methylphenyl)methyl]-3-methylbenzimidazol-2-one
CID 106869994
3-[2-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 134063543
1-[[4-(bromomethyl)phenyl]methyl]-3-methylbenzimidazol-2-one
CID 142914206
3-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]benzonitrile
CID 115576424
8-bromo-1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]-2,4-dioxoquinazoline-6-sulfonyl chloride
CID 121398353
5-[[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142329
5-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-3-methyl-1,2-oxazole
CID 30142213
5-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 81135716

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one (CID 113220147) is 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one is Cc1cc(Cn2c(=O)n(C)c3ccccc32)on1.
What is the InChIKey of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one?
The InChIKey is LKFJOMMXKDKZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-9-7-10(18-14-9)8-16-12-6-4-3-5-11(12)15(2)13(16)17/h3-7H,8H2,1-2H3.
What are the key properties of 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one?
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one has a molecular weight of 243.27 g/mol, XLogP of 1.68, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]benzimidazol-2-one is sourced from PubChem (CID 113220147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).