4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol

C16H13IN2O — CID 82560831

IUPAC4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol
SMILESOc1ccc(Cn2ccnc2-c2ccccc2I)cc1
InChIInChI=1S/C16H13IN2O/c17-15-4-2-1-3-14(15)16-18-9-10-19(16)11-12-5-7-13(20)8-6-12/h1-10,20H,11H2
InChIKeyVPCCTBNLTRPQLP-UHFFFAOYSA-N
MW376.20 g/mol
LogP3.91
Rot. Bonds3

About 4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol

4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol (PubChem CID 82560831) has the molecular formula C16H13IN2O and a molecular weight of 376.20 g/mol. Its IUPAC name is 4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol.

Molecular Properties

Compound Name4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol
PubChem CID82560831
Molecular FormulaC16H13IN2O
Molecular Weight376.20 g/mol
Exact Mass376.01
IUPAC Name4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol
SMILESOc1ccc(Cn2ccnc2-c2ccccc2I)cc1
InChIInChI=1S/C16H13IN2O/c17-15-4-2-1-3-14(15)16-18-9-10-19(16)11-12-5-7-13(20)8-6-12/h1-10,20H,11H2
InChIKeyVPCCTBNLTRPQLP-UHFFFAOYSA-N
XLogP3.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.20
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-iodophenyl)imidazol-1-yl]acetonitrile
CID 82561718
2,4,6-tris(1-benzylimidazol-2-yl)phenol
CID 136721299
1-[(4-bromophenyl)methyl]-2-(2-fluorophenyl)imidazole
CID 82562071
4-[[2-(2-fluorophenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560528
2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
CID 139073564
4-[[2-(aminomethyl)imidazol-1-yl]methyl]phenol
CID 13477994
4-[[2-(2-methoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560557
2-chloro-3-[1-[(2-methyl-4-pyridinyl)methyl]imidazol-2-yl]phenol
CID 155913572
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
4-[[2-[amino(phenyl)methyl]imidazol-1-yl]methyl]phenol
CID 56999955
4-(benzimidazol-1-ylmethyl)phenol
CID 6498815
4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
CID 122395602

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol?
The IUPAC name of 4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol (CID 82560831) is 4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol.
What is the SMILES notation for 4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol?
The canonical SMILES for 4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol is Oc1ccc(Cn2ccnc2-c2ccccc2I)cc1.
What is the InChIKey of 4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol?
The InChIKey is VPCCTBNLTRPQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13IN2O/c17-15-4-2-1-3-14(15)16-18-9-10-19(16)11-12-5-7-13(20)8-6-12/h1-10,20H,11H2.
What are the key properties of 4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol?
4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol has a molecular weight of 376.20 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-iodophenyl)imidazol-1-yl]methyl]phenol is sourced from PubChem (CID 82560831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).