2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole

C14H9N3OS — CID 102090631

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole
SMILESc1ccc2[nH]c(Sc3nc4ccccc4o3)nc2c1
InChIInChI=1S/C14H9N3OS/c1-2-6-10-9(5-1)15-13(16-10)19-14-17-11-7-3-4-8-12(11)18-14/h1-8H,(H,15,16)
InChIKeyXVSNQLCOVMSBJN-UHFFFAOYSA-N
MW267.31 g/mol
LogP3.86
Rot. Bonds2

About 2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole

2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole (PubChem CID 102090631) has the molecular formula C14H9N3OS and a molecular weight of 267.31 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole
PubChem CID102090631
Molecular FormulaC14H9N3OS
Molecular Weight267.31 g/mol
Exact Mass267.05
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole
SMILESc1ccc2[nH]c(Sc3nc4ccccc4o3)nc2c1
InChIInChI=1S/C14H9N3OS/c1-2-6-10-9(5-1)15-13(16-10)19-14-17-11-7-3-4-8-12(11)18-14/h1-8H,(H,15,16)
InChIKeyXVSNQLCOVMSBJN-UHFFFAOYSA-N
XLogP3.86
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-phenyl-1,3-benzoxazol-2-amine
CID 243391
N-(2-fluorophenyl)-1,3-benzoxazol-2-amine
CID 1505210
2-(1H-Benzimidazol-2-yl)-1,3-benzoxazole
CID 373877
6-fluoro-3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
CID 9817367
3-(1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
CID 10198876
3-(1,3-benzoxazol-2-yl)-6-fluoro-1H-benzimidazol-2-one
CID 15428741
6-fluoro-3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
CID 15428750
2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole
CID 706189
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 2361559
3-(5-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
CID 15428744
3-(6-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
CID 15428745
3-(7-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
CID 15428746

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole (CID 102090631) is 2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole is c1ccc2[nH]c(Sc3nc4ccccc4o3)nc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole?
The InChIKey is XVSNQLCOVMSBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS/c1-2-6-10-9(5-1)15-13(16-10)19-14-17-11-7-3-4-8-12(11)18-14/h1-8H,(H,15,16).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole?
2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole has a molecular weight of 267.31 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-1,3-benzoxazole is sourced from PubChem (CID 102090631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).