4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole

C15H19IN2O — CID 59099614

IUPAC4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1CCCCOCc1ccc(I)cc1
InChIInChI=1S/C15H19IN2O/c1-12-15(18-11-17-12)4-2-3-9-19-10-13-5-7-14(16)8-6-13/h5-8,11H,2-4,9-10H2,1H3,(H,17,18)
InChIKeyPGZIYBJVFAYKLC-UHFFFAOYSA-N
MW370.23 g/mol
LogP3.86
Rot. Bonds7

About 4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole

4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole (PubChem CID 59099614) has the molecular formula C15H19IN2O and a molecular weight of 370.23 g/mol. Its IUPAC name is 4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole.

Molecular Properties

Compound Name4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole
PubChem CID59099614
Molecular FormulaC15H19IN2O
Molecular Weight370.23 g/mol
Exact Mass370.05
IUPAC Name4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole
SMILESCc1[nH]cnc1CCCCOCc1ccc(I)cc1
InChIInChI=1S/C15H19IN2O/c1-12-15(18-11-17-12)4-2-3-9-19-10-13-5-7-14(16)8-6-13/h5-8,11H,2-4,9-10H2,1H3,(H,17,18)
InChIKeyPGZIYBJVFAYKLC-UHFFFAOYSA-N
XLogP3.86
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[3-(4-iodophenoxy)propyl]-5-methyl-1H-imidazole
CID 59099630
1-iodo-4-[4-(4-methoxyphenyl)butoxymethyl]benzene
CID 24799167
4-heptyl-5-methyl-1H-imidazole
CID 89069470
1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene
CID 141318682
1-iodo-4-(3-phenylmethoxypropyl)benzene
CID 10937065
1-iodo-4-(8,8,8-trifluorooctoxymethyl)benzene
CID 54310842
4-(5-methyl-1H-imidazol-4-yl)butanoic acid
CID 565590
5-methyl-4-(2-tritiooxyethyl)-1H-imidazole
CID 59099593
2-[2-[2-[2-[(4-iodophenyl)methoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 23598251
4-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]phenol
CID 114331453
1-methyl-4-(octoxymethyl)benzene
CID 86156710
4-[3-(pyridin-4-ylmethoxy)propoxymethyl]pyridine
CID 59757640

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole?
The IUPAC name of 4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole (CID 59099614) is 4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole.
What is the SMILES notation for 4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole?
The canonical SMILES for 4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole is Cc1[nH]cnc1CCCCOCc1ccc(I)cc1.
What is the InChIKey of 4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole?
The InChIKey is PGZIYBJVFAYKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2O/c1-12-15(18-11-17-12)4-2-3-9-19-10-13-5-7-14(16)8-6-13/h5-8,11H,2-4,9-10H2,1H3,(H,17,18).
What are the key properties of 4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole?
4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole has a molecular weight of 370.23 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-iodophenyl)methoxy]butyl]-5-methyl-1H-imidazole is sourced from PubChem (CID 59099614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).