2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide

C21H19BrN4O2 — CID 167160873

IUPAC2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide
SMILESCCCc1cc(NC(=O)Cc2ccc(-n3cnc4cc(Br)ccc43)cc2)on1
InChIInChI=1S/C21H19BrN4O2/c1-2-3-16-12-21(28-25-16)24-20(27)10-14-4-7-17(8-5-14)26-13-23-18-11-15(22)6-9-19(18)26/h4-9,11-13H,2-3,10H2,1H3,(H,24,27)
InChIKeyFYEILWFWHMFEIZ-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.91
Rot. Bonds6

About 2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide

2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide (PubChem CID 167160873) has the molecular formula C21H19BrN4O2 and a molecular weight of 439.31 g/mol. Its IUPAC name is 2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide
PubChem CID167160873
Molecular FormulaC21H19BrN4O2
Molecular Weight439.31 g/mol
Exact Mass438.07
IUPAC Name2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide
SMILESCCCc1cc(NC(=O)Cc2ccc(-n3cnc4cc(Br)ccc43)cc2)on1
InChIInChI=1S/C21H19BrN4O2/c1-2-3-16-12-21(28-25-16)24-20(27)10-14-4-7-17(8-5-14)26-13-23-18-11-15(22)6-9-19(18)26/h4-9,11-13H,2-3,10H2,1H3,(H,24,27)
InChIKeyFYEILWFWHMFEIZ-UHFFFAOYSA-N
XLogP4.91
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide (CID 167160873) is 2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide is CCCc1cc(NC(=O)Cc2ccc(-n3cnc4cc(Br)ccc43)cc2)on1.
What is the InChIKey of 2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is FYEILWFWHMFEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O2/c1-2-3-16-12-21(28-25-16)24-20(27)10-14-4-7-17(8-5-14)26-13-23-18-11-15(22)6-9-19(18)26/h4-9,11-13H,2-3,10H2,1H3,(H,24,27).
What are the key properties of 2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide?
2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 439.31 g/mol, XLogP of 4.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-bromobenzimidazol-1-yl)phenyl]-N-(3-propyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 167160873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).