2-iodo-1-methoxybenzimidazole

C8H7IN2O — CID 3843081

IUPAC2-iodo-1-methoxybenzimidazole
SMILESCOn1c(I)nc2ccccc21
InChIInChI=1S/C8H7IN2O/c1-12-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3
InChIKeyKHNWGCWPEJEAIG-UHFFFAOYSA-N
MW274.06 g/mol
LogP1.70
Rot. Bonds1

About 2-iodo-1-methoxybenzimidazole

2-iodo-1-methoxybenzimidazole (PubChem CID 3843081) has the molecular formula C8H7IN2O and a molecular weight of 274.06 g/mol. Its IUPAC name is 2-iodo-1-methoxybenzimidazole.

Molecular Properties

Compound Name2-iodo-1-methoxybenzimidazole
PubChem CID3843081
Molecular FormulaC8H7IN2O
Molecular Weight274.06 g/mol
Exact Mass273.96
IUPAC Name2-iodo-1-methoxybenzimidazole
SMILESCOn1c(I)nc2ccccc21
InChIInChI=1S/C8H7IN2O/c1-12-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3
InChIKeyKHNWGCWPEJEAIG-UHFFFAOYSA-N
XLogP1.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.06
LogP ≤ 51.70
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-methoxybenzimidazol-2-amine
CID 21390437
1-(2-iodobenzimidazol-1-yl)ethanone
CID 130056290
1-methoxy-2-[(3-methoxy-2,4-dimethyl-6-azabicyclo[3.1.1]hepta-1,3,5-trien-7-yl)sulfinyl]benzimidazole
CID 69342698
1-(2-chlorophenyl)-2-iodobenzimidazole
CID 135367836
11-chloro-10-methoxyindolo[3,2-b]quinoline
CID 10636674
methane;1-methoxybenzotriazole
CID 161160564
(2-phenylbenzimidazol-1-yl) hypochlorite
CID 68724348
2-methoxy-1-methylbenzimidazole;propane
CID 160678842
CID 87571723
CID 87571723
2-(4-iodophenyl)-1-methylbenzimidazole
CID 23094064
1-(methoxymethyl)benzimidazol-2-amine
CID 12808407
2-iodo-1-(2-pyridin-2-ylethyl)benzimidazole
CID 134859025

Frequently Asked Questions

What is the IUPAC name of 2-iodo-1-methoxybenzimidazole?
The IUPAC name of 2-iodo-1-methoxybenzimidazole (CID 3843081) is 2-iodo-1-methoxybenzimidazole.
What is the SMILES notation for 2-iodo-1-methoxybenzimidazole?
The canonical SMILES for 2-iodo-1-methoxybenzimidazole is COn1c(I)nc2ccccc21.
What is the InChIKey of 2-iodo-1-methoxybenzimidazole?
The InChIKey is KHNWGCWPEJEAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7IN2O/c1-12-11-7-5-3-2-4-6(7)10-8(11)9/h2-5H,1H3.
What are the key properties of 2-iodo-1-methoxybenzimidazole?
2-iodo-1-methoxybenzimidazole has a molecular weight of 274.06 g/mol, XLogP of 1.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-1-methoxybenzimidazole is sourced from PubChem (CID 3843081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).