2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

C19H13N5O2S — CID 58217213

IUPAC2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cnc2c(-c3nc4ccccc4o3)cccc21)Nc1nccs1
InChIInChI=1S/C19H13N5O2S/c25-16(23-19-20-8-9-27-19)10-24-11-21-17-12(4-3-6-14(17)24)18-22-13-5-1-2-7-15(13)26-18/h1-9,11H,10H2,(H,20,23,25)
InChIKeyOFQLRHIGBQOKPJ-UHFFFAOYSA-N
MW375.41 g/mol
LogP3.94
Rot. Bonds4

About 2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 58217213) has the molecular formula C19H13N5O2S and a molecular weight of 375.41 g/mol. Its IUPAC name is 2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID58217213
Molecular FormulaC19H13N5O2S
Molecular Weight375.41 g/mol
Exact Mass375.08
IUPAC Name2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESO=C(Cn1cnc2c(-c3nc4ccccc4o3)cccc21)Nc1nccs1
InChIInChI=1S/C19H13N5O2S/c25-16(23-19-20-8-9-27-19)10-24-11-21-17-12(4-3-6-14(17)24)18-22-13-5-1-2-7-15(13)26-18/h1-9,11H,10H2,(H,20,23,25)
InChIKeyOFQLRHIGBQOKPJ-UHFFFAOYSA-N
XLogP3.94
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 58217213) is 2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is O=C(Cn1cnc2c(-c3nc4ccccc4o3)cccc21)Nc1nccs1.
What is the InChIKey of 2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is OFQLRHIGBQOKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N5O2S/c25-16(23-19-20-8-9-27-19)10-24-11-21-17-12(4-3-6-14(17)24)18-22-13-5-1-2-7-15(13)26-18/h1-9,11H,10H2,(H,20,23,25).
What are the key properties of 2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 375.41 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzoxazol-2-yl)benzimidazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 58217213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).