2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole

C15H11N3O — CID 831984

IUPAC2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole
SMILESCc1nc2ccc(-c3nc4ccccc4o3)cc2[nH]1
InChIInChI=1S/C15H11N3O/c1-9-16-11-7-6-10(8-13(11)17-9)15-18-12-4-2-3-5-14(12)19-15/h2-8H,1H3,(H,16,17)
InChIKeyFAUHDDWHOPTTHL-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.68
Rot. Bonds1

About 2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole

2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole (PubChem CID 831984) has the molecular formula C15H11N3O and a molecular weight of 249.27 g/mol. Its IUPAC name is 2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole
PubChem CID831984
Molecular FormulaC15H11N3O
Molecular Weight249.27 g/mol
Exact Mass249.09
IUPAC Name2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole
SMILESCc1nc2ccc(-c3nc4ccccc4o3)cc2[nH]1
InChIInChI=1S/C15H11N3O/c1-9-16-11-7-6-10(8-13(11)17-9)15-18-12-4-2-3-5-14(12)19-15/h2-8H,1H3,(H,16,17)
InChIKeyFAUHDDWHOPTTHL-UHFFFAOYSA-N
XLogP3.68
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole?
The IUPAC name of 2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole (CID 831984) is 2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole.
What is the SMILES notation for 2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole?
The canonical SMILES for 2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole is Cc1nc2ccc(-c3nc4ccccc4o3)cc2[nH]1.
What is the InChIKey of 2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole?
The InChIKey is FAUHDDWHOPTTHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O/c1-9-16-11-7-6-10(8-13(11)17-9)15-18-12-4-2-3-5-14(12)19-15/h2-8H,1H3,(H,16,17).
What are the key properties of 2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole?
2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole has a molecular weight of 249.27 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzoxazole is sourced from PubChem (CID 831984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).