1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole

C15H19IN2 — CID 174565970

IUPAC1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole
SMILESCC(C)c1cc(I)cc(C(C)C)c1-n1ccnc1
InChIInChI=1S/C15H19IN2/c1-10(2)13-7-12(16)8-14(11(3)4)15(13)18-6-5-17-9-18/h5-11H,1-4H3
InChIKeyFHYUDNSVWVFVQQ-UHFFFAOYSA-N
MW354.24 g/mol
LogP4.72
Rot. Bonds3

About 1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole

1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole (PubChem CID 174565970) has the molecular formula C15H19IN2 and a molecular weight of 354.24 g/mol. Its IUPAC name is 1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole.

Molecular Properties

Compound Name1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole
PubChem CID174565970
Molecular FormulaC15H19IN2
Molecular Weight354.24 g/mol
Exact Mass354.06
IUPAC Name1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole
SMILESCC(C)c1cc(I)cc(C(C)C)c1-n1ccnc1
InChIInChI=1S/C15H19IN2/c1-10(2)13-7-12(16)8-14(11(3)4)15(13)18-6-5-17-9-18/h5-11H,1-4H3
InChIKeyFHYUDNSVWVFVQQ-UHFFFAOYSA-N
XLogP4.72
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.24
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-methyl-2-(1-phenylethyl)-6-[(1S)-1-phenylethyl]phenyl]imidazole;hydrochloride
CID 175342500
chlorozinc(1+);1-[2,6-di(propan-2-yl)phenyl]imidazole;1-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-ide
CID 162265411
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
CID 141435532
4-imidazol-1-yl-6-propan-2-ylpyrimidine
CID 63811489
4-imidazol-1-yl-2,6-di(propan-2-yl)pyrimidine
CID 133407803
2-bromo-5-iodo-1,3-di(propan-2-yl)benzene
CID 86057486
(5-hydroxy-4-imidazol-1-yl-2-propan-2-ylphenyl) 2-methylpropanoate
CID 140670100
1-(2-methoxy-4-propan-2-ylphenyl)imidazole
CID 59583786
1-(5-bromo-2-imidazol-1-ylphenyl)ethanamine
CID 82968273
4-chloro-5-imidazol-1-ylbenzene-1,2-diamine
CID 10081805
2-imidazol-1-yl-3-methylphenol
CID 70472406
1-(3,5-difluoro-4-imidazol-1-ylphenyl)-N-methylmethanamine
CID 63076477

Frequently Asked Questions

What is the IUPAC name of 1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole?
The IUPAC name of 1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole (CID 174565970) is 1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole.
What is the SMILES notation for 1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole?
The canonical SMILES for 1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole is CC(C)c1cc(I)cc(C(C)C)c1-n1ccnc1.
What is the InChIKey of 1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole?
The InChIKey is FHYUDNSVWVFVQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19IN2/c1-10(2)13-7-12(16)8-14(11(3)4)15(13)18-6-5-17-9-18/h5-11H,1-4H3.
What are the key properties of 1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole?
1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole has a molecular weight of 354.24 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-iodo-2,6-di(propan-2-yl)phenyl]imidazole is sourced from PubChem (CID 174565970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).