5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate

C7H7AsN2O3 — CID 90675301

IUPAC5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate
SMILESO.O=[As]c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C7H5AsN2O2.H2O/c11-7-9-5-2-1-4(8-12)3-6(5)10-7;/h1-3H,(H2,9,10,11);1H2
InChIKeyIIFFEUXKPGMKIX-UHFFFAOYSA-N
MW242.07 g/mol
LogP-1.29
Rot. Bonds1

About 5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate

5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate (PubChem CID 90675301) has the molecular formula C7H7AsN2O3 and a molecular weight of 242.07 g/mol. Its IUPAC name is 5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate.

Molecular Properties

Compound Name5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate
PubChem CID90675301
Molecular FormulaC7H7AsN2O3
Molecular Weight242.07 g/mol
Exact Mass241.97
IUPAC Name5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate
SMILESO.O=[As]c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C7H5AsN2O2.H2O/c11-7-9-5-2-1-4(8-12)3-6(5)10-7;/h1-3H,(H2,9,10,11);1H2
InChIKeyIIFFEUXKPGMKIX-UHFFFAOYSA-N
XLogP-1.29
TPSA97.22 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.07
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
CID 70140559
ethane;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 90978639
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-(methylsulfinylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745192
5-[(4-aminophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116926027
5-(methylsulfonylmethyl)-1,3-dihydrobenzimidazol-2-one
CID 22745310
1,3-dihydrobenzimidazol-2-one;zinc
CID 174871541
ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741
5-[(aminomethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115225769
5-(4-chlorobutyl)-1,3-dihydrobenzimidazol-2-one
CID 87983574
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756
5-[hydroxy-(4-iodophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61088445

Frequently Asked Questions

What is the IUPAC name of 5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate?
The IUPAC name of 5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate (CID 90675301) is 5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate.
What is the SMILES notation for 5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate?
The canonical SMILES for 5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate is O.O=[As]c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate?
The InChIKey is IIFFEUXKPGMKIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5AsN2O2.H2O/c11-7-9-5-2-1-4(8-12)3-6(5)10-7;/h1-3H,(H2,9,10,11);1H2.
What are the key properties of 5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate?
5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate has a molecular weight of 242.07 g/mol, XLogP of -1.29, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-arsoroso-1,3-dihydrobenzimidazol-2-one;hydrate is sourced from PubChem (CID 90675301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).