4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole

C12H11N3O — CID 90667397

IUPAC4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H11N3O/c1-7-12(8(2)16-15-7)9-3-4-10-11(5-9)14-6-13-10/h3-6H,1-2H3,(H,13,14)
InChIKeyJNUFDOAGGSSJSL-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.83
Rot. Bonds1

About 4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole

4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole (PubChem CID 90667397) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
PubChem CID90667397
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc2nc[nH]c2c1
InChIInChI=1S/C12H11N3O/c1-7-12(8(2)16-15-7)9-3-4-10-11(5-9)14-6-13-10/h3-6H,1-2H3,(H,13,14)
InChIKeyJNUFDOAGGSSJSL-UHFFFAOYSA-N
XLogP2.83
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole (CID 90667397) is 4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1-c1ccc2nc[nH]c2c1.
What is the InChIKey of 4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?
The InChIKey is JNUFDOAGGSSJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-7-12(8(2)16-15-7)9-3-4-10-11(5-9)14-6-13-10/h3-6H,1-2H3,(H,13,14).
What are the key properties of 4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole?
4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole has a molecular weight of 213.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-benzimidazol-5-yl)-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 90667397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).