[2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite

C19H13IN2O — CID 129164240

IUPAC[2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite
SMILESIOc1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H13IN2O/c20-23-18-13-7-4-10-15(18)19-21-16-11-5-6-12-17(16)22(19)14-8-2-1-3-9-14/h1-13H
InChIKeyJVMWDQFTCYZKAY-UHFFFAOYSA-N
MW412.23 g/mol
LogP5.42
Rot. Bonds3

About [2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite

[2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite (PubChem CID 129164240) has the molecular formula C19H13IN2O and a molecular weight of 412.23 g/mol. Its IUPAC name is [2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite.

Molecular Properties

Compound Name[2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite
PubChem CID129164240
Molecular FormulaC19H13IN2O
Molecular Weight412.23 g/mol
Exact Mass412.01
IUPAC Name[2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite
SMILESIOc1ccccc1-c1nc2ccccc2n1-c1ccccc1
InChIInChI=1S/C19H13IN2O/c20-23-18-13-7-4-10-15(18)19-21-16-11-5-6-12-17(16)22(19)14-8-2-1-3-9-14/h1-13H
InChIKeyJVMWDQFTCYZKAY-UHFFFAOYSA-N
XLogP5.42
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.23
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-2-(2-phenylphenyl)benzimidazole
CID 139044287
1-phenyl-2-(1-phenylbenzimidazol-2-yl)benzimidazole
CID 44622931
lithium 2-(1-phenylbenzimidazol-2-yl)phenolate
CID 118618865
1-phenyl-2-[4-[4-(1-phenylbenzimidazol-2-yl)naphthalen-1-yl]naphthalen-1-yl]benzimidazole
CID 129257071
2-(2,4-dimethoxyphenyl)-1-phenylbenzimidazole
CID 86118323
1-phenyl-2-[4-(1-phenylbenzimidazol-2-yl)phenyl]benzimidazole
CID 18629889
1-phenyl-2-[2-[3-[3-[2-(1-phenylbenzimidazol-2-yl)phenyl]pyrazin-2-yl]pyrazin-2-yl]phenyl]benzimidazole
CID 58947640
1-phenyl-2-[2-(2-phenylethynyl)phenyl]benzimidazole
CID 122363283
2-[2,5-bis(1-phenylbenzimidazol-2-yl)phenyl]-1-phenylbenzimidazole
CID 141061579
8-(1-phenylbenzimidazol-2-yl)quinoline
CID 23527786
2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]-1-phenylbenzimidazole
CID 129099562
2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole
CID 121392547

Frequently Asked Questions

What is the IUPAC name of [2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite?
The IUPAC name of [2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite (CID 129164240) is [2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite.
What is the SMILES notation for [2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite?
The canonical SMILES for [2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite is IOc1ccccc1-c1nc2ccccc2n1-c1ccccc1.
What is the InChIKey of [2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite?
The InChIKey is JVMWDQFTCYZKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13IN2O/c20-23-18-13-7-4-10-15(18)19-21-16-11-5-6-12-17(16)22(19)14-8-2-1-3-9-14/h1-13H.
What are the key properties of [2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite?
[2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite has a molecular weight of 412.23 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-phenylbenzimidazol-2-yl)phenyl] hypoiodite is sourced from PubChem (CID 129164240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).