2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

C16H12N4O3 — CID 18142295

IUPAC2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H12N4O3/c17-8-10-1-4-12(5-2-10)23-9-15(21)18-11-3-6-13-14(7-11)20-16(22)19-13/h1-7H,9H2,(H,18,21)(H2,19,20,22)
InChIKeyHGLWZPRGBWIAKG-UHFFFAOYSA-N
MW308.30 g/mol
LogP1.75
Rot. Bonds4

About 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide

2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (PubChem CID 18142295) has the molecular formula C16H12N4O3 and a molecular weight of 308.30 g/mol. Its IUPAC name is 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
PubChem CID18142295
Molecular FormulaC16H12N4O3
Molecular Weight308.30 g/mol
Exact Mass308.09
IUPAC Name2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
SMILESN#Cc1ccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C16H12N4O3/c17-8-10-1-4-12(5-2-10)23-9-15(21)18-11-3-6-13-14(7-11)20-16(22)19-13/h1-7H,9H2,(H,18,21)(H2,19,20,22)
InChIKeyHGLWZPRGBWIAKG-UHFFFAOYSA-N
XLogP1.75
TPSA110.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The IUPAC name of 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide (CID 18142295) is 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is N#Cc1ccc(OCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
The InChIKey is HGLWZPRGBWIAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O3/c17-8-10-1-4-12(5-2-10)23-9-15(21)18-11-3-6-13-14(7-11)20-16(22)19-13/h1-7H,9H2,(H,18,21)(H2,19,20,22).
What are the key properties of 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide?
2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide has a molecular weight of 308.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyanophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide is sourced from PubChem (CID 18142295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).