4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol

C16H15IN2O2 — CID 136885883

IUPAC4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
SMILESCOCCn1c(-c2cc(I)ccc2O)nc2ccccc21
InChIInChI=1S/C16H15IN2O2/c1-21-9-8-19-14-5-3-2-4-13(14)18-16(19)12-10-11(17)6-7-15(12)20/h2-7,10,20H,8-9H2,1H3
InChIKeyCPQGBZCAUKRKHL-UHFFFAOYSA-N
MW394.21 g/mol
LogP3.66
Rot. Bonds4

About 4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol

4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol (PubChem CID 136885883) has the molecular formula C16H15IN2O2 and a molecular weight of 394.21 g/mol. Its IUPAC name is 4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
PubChem CID136885883
Molecular FormulaC16H15IN2O2
Molecular Weight394.21 g/mol
Exact Mass394.02
IUPAC Name4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol
SMILESCOCCn1c(-c2cc(I)ccc2O)nc2ccccc21
InChIInChI=1S/C16H15IN2O2/c1-21-9-8-19-14-5-3-2-4-13(14)18-16(19)12-10-11(17)6-7-15(12)20/h2-7,10,20H,8-9H2,1H3
InChIKeyCPQGBZCAUKRKHL-UHFFFAOYSA-N
XLogP3.66
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.21
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol?
The IUPAC name of 4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol (CID 136885883) is 4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol.
What is the SMILES notation for 4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol?
The canonical SMILES for 4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol is COCCn1c(-c2cc(I)ccc2O)nc2ccccc21.
What is the InChIKey of 4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol?
The InChIKey is CPQGBZCAUKRKHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O2/c1-21-9-8-19-14-5-3-2-4-13(14)18-16(19)12-10-11(17)6-7-15(12)20/h2-7,10,20H,8-9H2,1H3.
What are the key properties of 4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol?
4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol has a molecular weight of 394.21 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-[1-(2-methoxyethyl)benzimidazol-2-yl]phenol is sourced from PubChem (CID 136885883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).