2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide

C18H22N4O3 — CID 71998545

IUPAC2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCCC(CC)c1cc(CNC(=O)Cn2c(=O)[nH]c3ccccc32)on1
InChIInChI=1S/C18H22N4O3/c1-3-12(4-2)15-9-13(25-21-15)10-19-17(23)11-22-16-8-6-5-7-14(16)20-18(22)24/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyMCTOVYCTTGTGTH-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.54
Rot. Bonds7

About 2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide

2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide (PubChem CID 71998545) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide
PubChem CID71998545
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide
SMILESCCC(CC)c1cc(CNC(=O)Cn2c(=O)[nH]c3ccccc32)on1
InChIInChI=1S/C18H22N4O3/c1-3-12(4-2)15-9-13(25-21-15)10-19-17(23)11-22-16-8-6-5-7-14(16)20-18(22)24/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,23)(H,20,24)
InChIKeyMCTOVYCTTGTGTH-UHFFFAOYSA-N
XLogP2.54
TPSA92.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The IUPAC name of 2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide (CID 71998545) is 2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The canonical SMILES for 2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide is CCC(CC)c1cc(CNC(=O)Cn2c(=O)[nH]c3ccccc32)on1.
What is the InChIKey of 2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
The InChIKey is MCTOVYCTTGTGTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-3-12(4-2)15-9-13(25-21-15)10-19-17(23)11-22-16-8-6-5-7-14(16)20-18(22)24/h5-9,12H,3-4,10-11H2,1-2H3,(H,19,23)(H,20,24).
What are the key properties of 2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide?
2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide has a molecular weight of 342.40 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3H-benzimidazol-1-yl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]acetamide is sourced from PubChem (CID 71998545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).