(2-oxobenzimidazol-5-yl)urea

C8H6N4O2 — CID 66923388

IUPAC(2-oxobenzimidazol-5-yl)urea
SMILESNC(=O)Nc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C8H6N4O2/c9-7(13)10-4-1-2-5-6(3-4)12-8(14)11-5/h1-3H,(H3,9,10,13)
InChIKeyZLUMPWTYOYIKHT-UHFFFAOYSA-N
MW190.16 g/mol
LogP-0.45
Rot. Bonds1

About (2-oxobenzimidazol-5-yl)urea

(2-oxobenzimidazol-5-yl)urea (PubChem CID 66923388) has the molecular formula C8H6N4O2 and a molecular weight of 190.16 g/mol. Its IUPAC name is (2-oxobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name(2-oxobenzimidazol-5-yl)urea
PubChem CID66923388
Molecular FormulaC8H6N4O2
Molecular Weight190.16 g/mol
Exact Mass190.05
IUPAC Name(2-oxobenzimidazol-5-yl)urea
SMILESNC(=O)Nc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C8H6N4O2/c9-7(13)10-4-1-2-5-6(3-4)12-8(14)11-5/h1-3H,(H3,9,10,13)
InChIKeyZLUMPWTYOYIKHT-UHFFFAOYSA-N
XLogP-0.45
TPSA96.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 5-0.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2-oxobenzimidazol-5-yl)urea 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-oxobenzimidazol-5-yl)urea?
The IUPAC name of (2-oxobenzimidazol-5-yl)urea (CID 66923388) is (2-oxobenzimidazol-5-yl)urea.
What is the SMILES notation for (2-oxobenzimidazol-5-yl)urea?
The canonical SMILES for (2-oxobenzimidazol-5-yl)urea is NC(=O)Nc1ccc2c(c1)=NC(=O)N=2.
What is the InChIKey of (2-oxobenzimidazol-5-yl)urea?
The InChIKey is ZLUMPWTYOYIKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O2/c9-7(13)10-4-1-2-5-6(3-4)12-8(14)11-5/h1-3H,(H3,9,10,13).
What are the key properties of (2-oxobenzimidazol-5-yl)urea?
(2-oxobenzimidazol-5-yl)urea has a molecular weight of 190.16 g/mol, XLogP of -0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxobenzimidazol-5-yl)urea is sourced from PubChem (CID 66923388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).