3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole

C15H15IN2 — CID 71012765

IUPAC3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole
SMILESCCN1c2ccccc2NC1c1ccccc1I
InChIInChI=1S/C15H15IN2/c1-2-18-14-10-6-5-9-13(14)17-15(18)11-7-3-4-8-12(11)16/h3-10,15,17H,2H2,1H3
InChIKeyCKUSNBQQFPLFJT-UHFFFAOYSA-N
MW350.20 g/mol
LogP4.24
Rot. Bonds2

About 3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole

3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole (PubChem CID 71012765) has the molecular formula C15H15IN2 and a molecular weight of 350.20 g/mol. Its IUPAC name is 3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole.

Molecular Properties

Compound Name3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole
PubChem CID71012765
Molecular FormulaC15H15IN2
Molecular Weight350.20 g/mol
Exact Mass350.03
IUPAC Name3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole
SMILESCCN1c2ccccc2NC1c1ccccc1I
InChIInChI=1S/C15H15IN2/c1-2-18-14-10-6-5-9-13(14)17-15(18)11-7-3-4-8-12(11)16/h3-10,15,17H,2H2,1H3
InChIKeyCKUSNBQQFPLFJT-UHFFFAOYSA-N
XLogP4.24
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole?
The IUPAC name of 3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole (CID 71012765) is 3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole.
What is the SMILES notation for 3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole?
The canonical SMILES for 3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole is CCN1c2ccccc2NC1c1ccccc1I.
What is the InChIKey of 3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole?
The InChIKey is CKUSNBQQFPLFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15IN2/c1-2-18-14-10-6-5-9-13(14)17-15(18)11-7-3-4-8-12(11)16/h3-10,15,17H,2H2,1H3.
What are the key properties of 3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole?
3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole has a molecular weight of 350.20 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-(2-iodophenyl)-1,2-dihydrobenzimidazole is sourced from PubChem (CID 71012765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).