(4-imidazol-1-ylphenyl)arsane

C9H9AsN2 — CID 173134933

IUPAC(4-imidazol-1-ylphenyl)arsane
SMILES[AsH2]c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C9H9AsN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,10H2
InChIKeyBTIGACMVLZSFRW-UHFFFAOYSA-N
MW220.11 g/mol
LogP0.13
Rot. Bonds1

About (4-imidazol-1-ylphenyl)arsane

(4-imidazol-1-ylphenyl)arsane (PubChem CID 173134933) has the molecular formula C9H9AsN2 and a molecular weight of 220.11 g/mol. Its IUPAC name is (4-imidazol-1-ylphenyl)arsane.

Molecular Properties

Compound Name(4-imidazol-1-ylphenyl)arsane
PubChem CID173134933
Molecular FormulaC9H9AsN2
Molecular Weight220.11 g/mol
Exact Mass220.00
IUPAC Name(4-imidazol-1-ylphenyl)arsane
SMILES[AsH2]c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C9H9AsN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,10H2
InChIKeyBTIGACMVLZSFRW-UHFFFAOYSA-N
XLogP0.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-imidazol-1-ylphenyl)arsane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluorophenyl)imidazole;hydrobromide
CID 175571353
1-[4-[1,2,2-tris(4-imidazol-1-ylphenyl)ethyl]phenyl]imidazole
CID 162718283
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
tris(4-imidazol-1-ylphenyl) borate
CID 69353024
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296
1-(3-fluoro-4-methylphenyl)imidazole
CID 18758587
(4-imidazol-1-ylphenyl)methyl-methylazanium
CID 7157370
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
1-(4-butylphenyl)imidazole
CID 174821695
1-(4-imidazol-1-ylphenyl)ethanamine;dihydrochloride
CID 91654248
1-(4-prop-2-enylphenyl)imidazole
CID 55274314

Frequently Asked Questions

What is the IUPAC name of (4-imidazol-1-ylphenyl)arsane?
The IUPAC name of (4-imidazol-1-ylphenyl)arsane (CID 173134933) is (4-imidazol-1-ylphenyl)arsane.
What is the SMILES notation for (4-imidazol-1-ylphenyl)arsane?
The canonical SMILES for (4-imidazol-1-ylphenyl)arsane is [AsH2]c1ccc(-n2ccnc2)cc1.
What is the InChIKey of (4-imidazol-1-ylphenyl)arsane?
The InChIKey is BTIGACMVLZSFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9AsN2/c10-8-1-3-9(4-2-8)12-6-5-11-7-12/h1-7H,10H2.
What are the key properties of (4-imidazol-1-ylphenyl)arsane?
(4-imidazol-1-ylphenyl)arsane has a molecular weight of 220.11 g/mol, XLogP of 0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazol-1-ylphenyl)arsane is sourced from PubChem (CID 173134933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).