1,3-diethyl-2-iodo-2H-benzimidazole

C11H15IN2 — CID 67548155

IUPAC1,3-diethyl-2-iodo-2H-benzimidazole
SMILESCCN1c2ccccc2N(CC)C1I
InChIInChI=1S/C11H15IN2/c1-3-13-9-7-5-6-8-10(9)14(4-2)11(13)12/h5-8,11H,3-4H2,1-2H3
InChIKeyIAFHUMNCEAHYPL-UHFFFAOYSA-N
MW302.16 g/mol
LogP3.07
Rot. Bonds2

About 1,3-diethyl-2-iodo-2H-benzimidazole

1,3-diethyl-2-iodo-2H-benzimidazole (PubChem CID 67548155) has the molecular formula C11H15IN2 and a molecular weight of 302.16 g/mol. Its IUPAC name is 1,3-diethyl-2-iodo-2H-benzimidazole.

Molecular Properties

Compound Name1,3-diethyl-2-iodo-2H-benzimidazole
PubChem CID67548155
Molecular FormulaC11H15IN2
Molecular Weight302.16 g/mol
Exact Mass302.03
IUPAC Name1,3-diethyl-2-iodo-2H-benzimidazole
SMILESCCN1c2ccccc2N(CC)C1I
InChIInChI=1S/C11H15IN2/c1-3-13-9-7-5-6-8-10(9)14(4-2)11(13)12/h5-8,11H,3-4H2,1-2H3
InChIKeyIAFHUMNCEAHYPL-UHFFFAOYSA-N
XLogP3.07
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.16
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-2-iodo-2H-benzimidazole?
The IUPAC name of 1,3-diethyl-2-iodo-2H-benzimidazole (CID 67548155) is 1,3-diethyl-2-iodo-2H-benzimidazole.
What is the SMILES notation for 1,3-diethyl-2-iodo-2H-benzimidazole?
The canonical SMILES for 1,3-diethyl-2-iodo-2H-benzimidazole is CCN1c2ccccc2N(CC)C1I.
What is the InChIKey of 1,3-diethyl-2-iodo-2H-benzimidazole?
The InChIKey is IAFHUMNCEAHYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15IN2/c1-3-13-9-7-5-6-8-10(9)14(4-2)11(13)12/h5-8,11H,3-4H2,1-2H3.
What are the key properties of 1,3-diethyl-2-iodo-2H-benzimidazole?
1,3-diethyl-2-iodo-2H-benzimidazole has a molecular weight of 302.16 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-2-iodo-2H-benzimidazole is sourced from PubChem (CID 67548155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).