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

C15H11N3OS — CID 706189

IUPAC2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole
SMILESc1ccc2[nH]c(CSc3nc4ccccc4o3)nc2c1
InChIInChI=1S/C15H11N3OS/c1-2-6-11-10(5-1)16-14(17-11)9-20-15-18-12-7-3-4-8-13(12)19-15/h1-8H,9H2,(H,16,17)
InChIKeyXWYBMWPWWXTZHA-UHFFFAOYSA-N
MW281.34 g/mol
LogP4.00
Rot. Bonds3

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

2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole (PubChem CID 706189) has the molecular formula C15H11N3OS and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole
PubChem CID706189
Molecular FormulaC15H11N3OS
Molecular Weight281.34 g/mol
Exact Mass281.06
IUPAC Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole
SMILESc1ccc2[nH]c(CSc3nc4ccccc4o3)nc2c1
InChIInChI=1S/C15H11N3OS/c1-2-6-11-10(5-1)16-14(17-11)9-20-15-18-12-7-3-4-8-13(12)19-15/h1-8H,9H2,(H,16,17)
InChIKeyXWYBMWPWWXTZHA-UHFFFAOYSA-N
XLogP4.00
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-Benzimidazol-2-yl)-1,3-benzoxazole
CID 373877
2-(5-Methyl-2-furyl)benzimidazole
CID 827976
7-(2-Benzoxazol-2-ylthioethyl)-8-bromo-3-methyl-1,3,7-trihydropurine-2,6-dione
CID 662941
Acetamide, N-(4-acetylaminofurazan-3-yl)-2-(benzooxazol-2-ylsulfanyl)-
CID 712224
3,5-bis[(1,3-benzoxazol-2-ylthio)methyl]-4H-1,2,4-triazol-4-amine
CID 3244872
2-((Imidazo[1,2-a]pyridin-2-ylmethyl)thio)benzo[d]oxazole
CID 716574
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
MAT-POS-e10a589d-1
CID 7756566
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4,6-dimethylpyrimidin-2-yl)acetamide
CID 2361559
2-[(3-Bromo-5,7-dimethyl-2-imidazo[1,2-a]pyrimidinyl)methylthio]-1,3-benzoxazole
CID 3241783
3-(5-fluoro-1,3-benzoxazol-2-yl)-1H-benzimidazol-2-one
CID 15428744

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole (CID 706189) is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole is c1ccc2[nH]c(CSc3nc4ccccc4o3)nc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole?
The InChIKey is XWYBMWPWWXTZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3OS/c1-2-6-11-10(5-1)16-14(17-11)9-20-15-18-12-7-3-4-8-13(12)19-15/h1-8H,9H2,(H,16,17).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole?
2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole has a molecular weight of 281.34 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1,3-benzoxazole is sourced from PubChem (CID 706189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).