CID 87640795

C9H9AsN2 — CID 87640795

IUPAC—
SMILES[As]CCc1nc2ccccc2[nH]1
InChIInChI=1S/C9H9AsN2/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)
InChIKeyKIDPASJFEPRYAC-UHFFFAOYSA-N
MW220.11 g/mol
LogP1.69
Rot. Bonds2

About CID 87640795

CID 87640795 (PubChem CID 87640795) has the molecular formula C9H9AsN2 and a molecular weight of 220.11 g/mol.

Molecular Properties

Compound NameCID 87640795
PubChem CID87640795
Molecular FormulaC9H9AsN2
Molecular Weight220.11 g/mol
Exact Mass220.00
IUPAC Name—
SMILES[As]CCc1nc2ccccc2[nH]1
InChIInChI=1S/C9H9AsN2/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12)
InChIKeyKIDPASJFEPRYAC-UHFFFAOYSA-N
XLogP1.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.11
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[7-(1H-benzimidazol-2-yl)heptyl]-1H-benzimidazole dichloride
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2-[3-[3-(1H-benzimidazol-2-yl)propyldisulfanyl]propyl]-1H-benzimidazole
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2-(10-phenyldecyl)-1H-benzimidazole
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2-docosyl-1H-benzimidazole
CID 141189761
2-(1H-benzimidazol-2-yl)ethyl-trihydroxyphosphanium
CID 70879958
O-[2-(1H-benzimidazol-2-yl)ethyl]hydroxylamine
CID 142734516
CID 58296357
CID 58296357
1H-benzimidazol-2-ylmethanamine;hydrate
CID 23192500
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-[5-(1H-benzimidazol-2-yl)pentylsulfanyl]-1H-benzimidazole
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Frequently Asked Questions

What is the IUPAC name of CID 87640795?
The IUPAC name of CID 87640795 (CID 87640795) is not available.
What is the SMILES notation for CID 87640795?
The canonical SMILES for CID 87640795 is [As]CCc1nc2ccccc2[nH]1.
What is the InChIKey of CID 87640795?
The InChIKey is KIDPASJFEPRYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9AsN2/c10-6-5-9-11-7-3-1-2-4-8(7)12-9/h1-4H,5-6H2,(H,11,12).
What are the key properties of CID 87640795?
CID 87640795 has a molecular weight of 220.11 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87640795 is sourced from PubChem (CID 87640795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).