5-aminobenzimidazol-2-one

C7H5N3O — CID 15250547

IUPAC5-aminobenzimidazol-2-one
SMILESNc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C7H5N3O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2
InChIKeyQOMNJPSRBRDQSU-UHFFFAOYSA-N
MW147.14 g/mol
LogP-0.36
Rot. Bonds

About 5-aminobenzimidazol-2-one

5-aminobenzimidazol-2-one (PubChem CID 15250547) has the molecular formula C7H5N3O and a molecular weight of 147.14 g/mol. Its IUPAC name is 5-aminobenzimidazol-2-one.

Molecular Properties

Compound Name5-aminobenzimidazol-2-one
PubChem CID15250547
Molecular FormulaC7H5N3O
Molecular Weight147.14 g/mol
Exact Mass147.04
IUPAC Name5-aminobenzimidazol-2-one
SMILESNc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C7H5N3O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2
InChIKeyQOMNJPSRBRDQSU-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

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CID 18704058
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CID 21453712
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CID 22311913
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CID 89854208
CID 89854208
CID 129785018
CID 129785018
CID 129818320
CID 129818320
CID 18704059
CID 18704059
CID 18970469
CID 18970469
CID 18970472
CID 18970472
CID 18970478
CID 18970478
CID 21528786
CID 21528786

Frequently Asked Questions

What is the IUPAC name of 5-aminobenzimidazol-2-one?
The IUPAC name of 5-aminobenzimidazol-2-one (CID 15250547) is 5-aminobenzimidazol-2-one.
What is the SMILES notation for 5-aminobenzimidazol-2-one?
The canonical SMILES for 5-aminobenzimidazol-2-one is Nc1ccc2c(c1)=NC(=O)N=2.
What is the InChIKey of 5-aminobenzimidazol-2-one?
The InChIKey is QOMNJPSRBRDQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H,8H2.
What are the key properties of 5-aminobenzimidazol-2-one?
5-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 5-aminobenzimidazol-2-one is sourced from PubChem (CID 15250547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).