(2-phenylbenzimidazol-1-yl) hypochlorite

C13H9ClN2O — CID 68724348

IUPAC(2-phenylbenzimidazol-1-yl) hypochlorite
SMILESClOn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C13H9ClN2O/c14-17-16-12-9-5-4-8-11(12)15-13(16)10-6-2-1-3-7-10/h1-9H
InChIKeyVNOPDUZVXOPUSO-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.29
Rot. Bonds2

About (2-phenylbenzimidazol-1-yl) hypochlorite

(2-phenylbenzimidazol-1-yl) hypochlorite (PubChem CID 68724348) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is (2-phenylbenzimidazol-1-yl) hypochlorite.

Molecular Properties

Compound Name(2-phenylbenzimidazol-1-yl) hypochlorite
PubChem CID68724348
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name(2-phenylbenzimidazol-1-yl) hypochlorite
SMILESClOn1c(-c2ccccc2)nc2ccccc21
InChIInChI=1S/C13H9ClN2O/c14-17-16-12-9-5-4-8-11(12)15-13(16)10-6-2-1-3-7-10/h1-9H
InChIKeyVNOPDUZVXOPUSO-UHFFFAOYSA-N
XLogP3.29
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-phenylbenzimidazol-1-yl)oxyacetic acid
CID 1483105
1-[(4-methylphenyl)methoxy]-2-phenylbenzimidazole
CID 3756820
1-hydroxy-2-phenylbenzimidazole
CID 606555
ethyl 2-(2-phenylbenzimidazol-1-yl)oxyacetate
CID 3782028
2-phenyl-1-(trifluoromethyl)benzimidazole
CID 123856722
1-(2-cyclohexyloxyethoxy)-2-phenylbenzimidazole
CID 69420518
1-(difluoromethyl)-2-phenylbenzimidazole
CID 91167618
2-phenyl-1-[[3-(trifluoromethyl)phenyl]methoxy]benzimidazole
CID 3710716
1-naphthalen-2-yl-2-phenylbenzimidazole
CID 134454984
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
2-(4-chlorophenyl)-1-[(2,4-dichlorophenyl)methoxy]benzimidazole
CID 3809277
1-(2-methylphenyl)-2-phenylbenzimidazole
CID 59359524

Frequently Asked Questions

What is the IUPAC name of (2-phenylbenzimidazol-1-yl) hypochlorite?
The IUPAC name of (2-phenylbenzimidazol-1-yl) hypochlorite (CID 68724348) is (2-phenylbenzimidazol-1-yl) hypochlorite.
What is the SMILES notation for (2-phenylbenzimidazol-1-yl) hypochlorite?
The canonical SMILES for (2-phenylbenzimidazol-1-yl) hypochlorite is ClOn1c(-c2ccccc2)nc2ccccc21.
What is the InChIKey of (2-phenylbenzimidazol-1-yl) hypochlorite?
The InChIKey is VNOPDUZVXOPUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c14-17-16-12-9-5-4-8-11(12)15-13(16)10-6-2-1-3-7-10/h1-9H.
What are the key properties of (2-phenylbenzimidazol-1-yl) hypochlorite?
(2-phenylbenzimidazol-1-yl) hypochlorite has a molecular weight of 244.68 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylbenzimidazol-1-yl) hypochlorite is sourced from PubChem (CID 68724348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).