1-benzylimidazole;chloro hypochlorite;selane

C10H12Cl2N2OSe — CID 175250503

IUPAC1-benzylimidazole;chloro hypochlorite;selane
SMILESClOCl.[SeH2].c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C10H10N2.Cl2O.H2Se/c1-2-4-10(5-3-1)8-12-7-6-11-9-12;1-3-2;/h1-7,9H,8H2;;1H2
InChIKeyKYTXGGJECOQWCF-UHFFFAOYSA-N
MW326.09 g/mol
LogP2.33
Rot. Bonds2

About 1-benzylimidazole;chloro hypochlorite;selane

1-benzylimidazole;chloro hypochlorite;selane (PubChem CID 175250503) has the molecular formula C10H12Cl2N2OSe and a molecular weight of 326.09 g/mol. Its IUPAC name is 1-benzylimidazole;chloro hypochlorite;selane.

Molecular Properties

Compound Name1-benzylimidazole;chloro hypochlorite;selane
PubChem CID175250503
Molecular FormulaC10H12Cl2N2OSe
Molecular Weight326.09 g/mol
Exact Mass325.95
IUPAC Name1-benzylimidazole;chloro hypochlorite;selane
SMILESClOCl.[SeH2].c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C10H10N2.Cl2O.H2Se/c1-2-4-10(5-3-1)8-12-7-6-11-9-12;1-3-2;/h1-7,9H,8H2;;1H2
InChIKeyKYTXGGJECOQWCF-UHFFFAOYSA-N
XLogP2.33
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.09
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzaldehyde;1-benzylimidazole
CID 23446402
1-[(2-phenylmethoxyphenyl)methyl]imidazole
CID 12903383
1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
CID 123541179
[4-(imidazol-1-ylmethyl)phenyl]methyl hydrogen carbonate
CID 137392132
1-benzyl-3-(imidazol-1-ylmethyl)indole
CID 10062599
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192
ethane;1-[4-(imidazol-1-ylmethyl)phenyl]-N-phenylmethanimine
CID 144833537
2-[4-(imidazol-1-ylmethyl)phenoxy]acetic acid
CID 12870444
N-[4-(imidazol-1-ylmethyl)phenyl]methanimine
CID 123643271
3-(imidazol-1-ylmethyl)benzaldehyde
CID 10397537
1-(8-phenyloctyl)imidazole
CID 102394184
(2R)-1-benzyl-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]azetidine-2-carboxamide
CID 96509471

Frequently Asked Questions

What is the IUPAC name of 1-benzylimidazole;chloro hypochlorite;selane?
The IUPAC name of 1-benzylimidazole;chloro hypochlorite;selane (CID 175250503) is 1-benzylimidazole;chloro hypochlorite;selane.
What is the SMILES notation for 1-benzylimidazole;chloro hypochlorite;selane?
The canonical SMILES for 1-benzylimidazole;chloro hypochlorite;selane is ClOCl.[SeH2].c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of 1-benzylimidazole;chloro hypochlorite;selane?
The InChIKey is KYTXGGJECOQWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2.Cl2O.H2Se/c1-2-4-10(5-3-1)8-12-7-6-11-9-12;1-3-2;/h1-7,9H,8H2;;1H2.
What are the key properties of 1-benzylimidazole;chloro hypochlorite;selane?
1-benzylimidazole;chloro hypochlorite;selane has a molecular weight of 326.09 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylimidazole;chloro hypochlorite;selane is sourced from PubChem (CID 175250503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).