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

C11H9ClN4O2 — CID 24834848

IUPAC5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one
SMILESCc1nc(-n2c(=O)n(C)c3ccc(Cl)cc32)no1
InChIInChI=1S/C11H9ClN4O2/c1-6-13-10(14-18-6)16-9-5-7(12)3-4-8(9)15(2)11(16)17/h3-5H,1-2H3
InChIKeyWZFUXYDHAPWISG-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.67
Rot. Bonds1

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

5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one (PubChem CID 24834848) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one
PubChem CID24834848
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one
SMILESCc1nc(-n2c(=O)n(C)c3ccc(Cl)cc32)no1
InChIInChI=1S/C11H9ClN4O2/c1-6-13-10(14-18-6)16-9-5-7(12)3-4-8(9)15(2)11(16)17/h3-5H,1-2H3
InChIKeyWZFUXYDHAPWISG-UHFFFAOYSA-N
XLogP1.67
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one?
The IUPAC name of 5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one (CID 24834848) is 5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one.
What is the SMILES notation for 5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one?
The canonical SMILES for 5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one is Cc1nc(-n2c(=O)n(C)c3ccc(Cl)cc32)no1.
What is the InChIKey of 5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one?
The InChIKey is WZFUXYDHAPWISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c1-6-13-10(14-18-6)16-9-5-7(12)3-4-8(9)15(2)11(16)17/h3-5H,1-2H3.
What are the key properties of 5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one?
5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one has a molecular weight of 264.67 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methyl-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzimidazol-2-one is sourced from PubChem (CID 24834848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).