N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide

C12H11N5O2 — CID 594201

IUPACN-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1C
InChIInChI=1S/C12H11N5O2/c1-7(18)13-11-10(15-19-16-11)12-14-8-5-3-4-6-9(8)17(12)2/h3-6H,1-2H3,(H,13,16,18)
InChIKeyJHTMMJOGBQFEQW-UHFFFAOYSA-N
MW257.25 g/mol
LogP1.58
Rot. Bonds2

About N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide

N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (PubChem CID 594201) has the molecular formula C12H11N5O2 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
PubChem CID594201
Molecular FormulaC12H11N5O2
Molecular Weight257.25 g/mol
Exact Mass257.09
IUPAC NameN-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide
SMILESCC(=O)Nc1nonc1-c1nc2ccccc2n1C
InChIInChI=1S/C12H11N5O2/c1-7(18)13-11-10(15-19-16-11)12-14-8-5-3-4-6-9(8)17(12)2/h3-6H,1-2H3,(H,13,16,18)
InChIKeyJHTMMJOGBQFEQW-UHFFFAOYSA-N
XLogP1.58
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The IUPAC name of N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide (CID 594201) is N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is CC(=O)Nc1nonc1-c1nc2ccccc2n1C.
What is the InChIKey of N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
The InChIKey is JHTMMJOGBQFEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O2/c1-7(18)13-11-10(15-19-16-11)12-14-8-5-3-4-6-9(8)17(12)2/h3-6H,1-2H3,(H,13,16,18).
What are the key properties of N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide?
N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide has a molecular weight of 257.25 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-methylbenzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 594201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).