1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea

C8H9N5O2 — CID 115192410

IUPAC1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESNNC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C8H9N5O2/c9-13-8(15)10-4-1-2-5-6(3-4)12-7(14)11-5/h1-3H,9H2,(H2,10,13,15)(H2,11,12,14)
InChIKeyWVOLIAGXBWEBAO-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.15
Rot. Bonds1

About 1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea

1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (PubChem CID 115192410) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.

Molecular Properties

Compound Name1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
PubChem CID115192410
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
SMILESNNC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C8H9N5O2/c9-13-8(15)10-4-1-2-5-6(3-4)12-7(14)11-5/h1-3H,9H2,(H2,10,13,15)(H2,11,12,14)
InChIKeyWVOLIAGXBWEBAO-UHFFFAOYSA-N
XLogP-0.15
TPSA115.80 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-dichlorophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48743188
1-naphthalen-2-yl-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48746862
1-(3-iodophenyl)-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 48742366
2-oxo-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1,3-dihydrobenzimidazole-5-carboxamide
CID 59347105
2,2-difluoro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 103605142
methyl 2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]acetate
CID 115142201
1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 115192948
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-4-carboxamide
CID 26663415
3-amino-2-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 62670322
diethyl 2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)carbamoyl]propanedioate
CID 121329545
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-phenylsulfanylacetamide
CID 6459618
5-(1-anilinoethenylamino)-1,3-dihydrobenzimidazol-2-one
CID 155113901

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The IUPAC name of 1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea (CID 115192410) is 1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea.
What is the SMILES notation for 1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The canonical SMILES for 1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is NNC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
The InChIKey is WVOLIAGXBWEBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c9-13-8(15)10-4-1-2-5-6(3-4)12-7(14)11-5/h1-3H,9H2,(H2,10,13,15)(H2,11,12,14).
What are the key properties of 1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea?
1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea has a molecular weight of 207.19 g/mol, XLogP of -0.15, 1 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea is sourced from PubChem (CID 115192410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).