2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide

C16H20N4O3 — CID 17395792

IUPAC2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)Cn1c(=O)n(CCC)c2ccccc21
InChIInChI=1S/C16H20N4O3/c1-3-9-17-15(22)18-14(21)11-20-13-8-6-5-7-12(13)19(10-4-2)16(20)23/h3,5-8H,1,4,9-11H2,2H3,(H2,17,18,21,22)
InChIKeyDCWPZKBEVYOCDT-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.22
Rot. Bonds6

About 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide

2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide (PubChem CID 17395792) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
PubChem CID17395792
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC Name2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide
SMILESC=CCNC(=O)NC(=O)Cn1c(=O)n(CCC)c2ccccc21
InChIInChI=1S/C16H20N4O3/c1-3-9-17-15(22)18-14(21)11-20-13-8-6-5-7-12(13)19(10-4-2)16(20)23/h3,5-8H,1,4,9-11H2,2H3,(H2,17,18,21,22)
InChIKeyDCWPZKBEVYOCDT-UHFFFAOYSA-N
XLogP1.22
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The IUPAC name of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide (CID 17395792) is 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide.
What is the SMILES notation for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The canonical SMILES for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide is C=CCNC(=O)NC(=O)Cn1c(=O)n(CCC)c2ccccc21.
What is the InChIKey of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
The InChIKey is DCWPZKBEVYOCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-3-9-17-15(22)18-14(21)11-20-13-8-6-5-7-12(13)19(10-4-2)16(20)23/h3,5-8H,1,4,9-11H2,2H3,(H2,17,18,21,22).
What are the key properties of 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide?
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(prop-2-enylcarbamoyl)acetamide is sourced from PubChem (CID 17395792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).