4-aminobenzimidazol-2-one

C7H5N3O — CID 22311913

IUPAC4-aminobenzimidazol-2-one
SMILESNc1cccc2c1=NC(=O)N=2
InChIInChI=1S/C7H5N3O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,8H2
InChIKeyCRXVBLLLPNWFBS-UHFFFAOYSA-N
MW147.14 g/mol
LogP-0.36
Rot. Bonds

About 4-aminobenzimidazol-2-one

4-aminobenzimidazol-2-one (PubChem CID 22311913) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 4-aminobenzimidazol-2-one.

Molecular Properties

Compound Name4-aminobenzimidazol-2-one
PubChem CID22311913
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name4-aminobenzimidazol-2-one
SMILESNc1cccc2c1=NC(=O)N=2
InChIInChI=1S/C7H5N3O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,8H2
InChIKeyCRXVBLLLPNWFBS-UHFFFAOYSA-N
XLogP-0.36
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.14
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzimidazol-2-one
CID 162542
5-amino-2H-1,3-benzodiazol-2-one
CID 15250547
5-Amino-6-methylbenzimidazol-2-one
CID 18704058
Benzimid-azol-2-one hydrochloride
CID 20555078
5,6-Diamino-2H-benzo[d]imidazol-2-one
CID 21453712
Diaminobenzimidazolon
CID 89854208
Deuterobenzimidazolone
CID 129818320
5-Amino-6-chlorobenzimidazolone
CID 18704059
2,2-Dimethylbenzimidazol-4-amine
CID 20537722
5-Aminobenzimidazol-2-one;hydrate
CID 70528295
Azane;benzimidazol-2-one
CID 87136059
(4-Aminobenzimidazol-2-ylidene)methanone
CID 88619569

Frequently Asked Questions

What is the IUPAC name of 4-aminobenzimidazol-2-one?
The IUPAC name of 4-aminobenzimidazol-2-one (CID 22311913) is 4-aminobenzimidazol-2-one.
What is the SMILES notation for 4-aminobenzimidazol-2-one?
The canonical SMILES for 4-aminobenzimidazol-2-one is Nc1cccc2c1=NC(=O)N=2.
What is the InChIKey of 4-aminobenzimidazol-2-one?
The InChIKey is CRXVBLLLPNWFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c8-4-2-1-3-5-6(4)10-7(11)9-5/h1-3H,8H2.
What are the key properties of 4-aminobenzimidazol-2-one?
4-aminobenzimidazol-2-one has a molecular weight of 147.14 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminobenzimidazol-2-one is sourced from PubChem (CID 22311913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).