(4-aminobenzimidazol-2-ylidene)methanone

C8H5N3O — CID 88619569

IUPAC(4-aminobenzimidazol-2-ylidene)methanone
SMILESNc1cccc2c1=NC(=C=O)N=2
InChIInChI=1S/C8H5N3O/c9-5-2-1-3-6-8(5)11-7(4-12)10-6/h1-3H,9H2
InChIKeyJJFPJJZCTUKITM-UHFFFAOYSA-N
MW159.15 g/mol
LogP-0.81
Rot. Bonds

About (4-aminobenzimidazol-2-ylidene)methanone

(4-aminobenzimidazol-2-ylidene)methanone (PubChem CID 88619569) has the molecular formula C8H5N3O and a molecular weight of 159.15 g/mol. Its IUPAC name is (4-aminobenzimidazol-2-ylidene)methanone.

Molecular Properties

Compound Name(4-aminobenzimidazol-2-ylidene)methanone
PubChem CID88619569
Molecular FormulaC8H5N3O
Molecular Weight159.15 g/mol
Exact Mass159.04
IUPAC Name(4-aminobenzimidazol-2-ylidene)methanone
SMILESNc1cccc2c1=NC(=C=O)N=2
InChIInChI=1S/C8H5N3O/c9-5-2-1-3-6-8(5)11-7(4-12)10-6/h1-3H,9H2
InChIKeyJJFPJJZCTUKITM-UHFFFAOYSA-N
XLogP-0.81
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.15
LogP ≤ 5-0.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4-aminobenzimidazol-2-ylidene)methanone 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 (4-aminobenzimidazol-2-ylidene)methanone?
The IUPAC name of (4-aminobenzimidazol-2-ylidene)methanone (CID 88619569) is (4-aminobenzimidazol-2-ylidene)methanone.
What is the SMILES notation for (4-aminobenzimidazol-2-ylidene)methanone?
The canonical SMILES for (4-aminobenzimidazol-2-ylidene)methanone is Nc1cccc2c1=NC(=C=O)N=2.
What is the InChIKey of (4-aminobenzimidazol-2-ylidene)methanone?
The InChIKey is JJFPJJZCTUKITM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5N3O/c9-5-2-1-3-6-8(5)11-7(4-12)10-6/h1-3H,9H2.
What are the key properties of (4-aminobenzimidazol-2-ylidene)methanone?
(4-aminobenzimidazol-2-ylidene)methanone has a molecular weight of 159.15 g/mol, XLogP of -0.81, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminobenzimidazol-2-ylidene)methanone is sourced from PubChem (CID 88619569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).