2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole

C16H19IN2 — CID 79787135

IUPAC2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole
SMILESCC1CCCC(n2ccnc2-c2cccc(I)c2)C1
InChIInChI=1S/C16H19IN2/c1-12-4-2-7-15(10-12)19-9-8-18-16(19)13-5-3-6-14(17)11-13/h3,5-6,8-9,11-12,15H,2,4,7,10H2,1H3
InChIKeySTUZQVVSJVFMQF-UHFFFAOYSA-N
MW366.25 g/mol
LogP4.91
Rot. Bonds2

About 2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole

2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole (PubChem CID 79787135) has the molecular formula C16H19IN2 and a molecular weight of 366.25 g/mol. Its IUPAC name is 2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole.

Molecular Properties

Compound Name2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole
PubChem CID79787135
Molecular FormulaC16H19IN2
Molecular Weight366.25 g/mol
Exact Mass366.06
IUPAC Name2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole
SMILESCC1CCCC(n2ccnc2-c2cccc(I)c2)C1
InChIInChI=1S/C16H19IN2/c1-12-4-2-7-15(10-12)19-9-8-18-16(19)13-5-3-6-14(17)11-13/h3,5-6,8-9,11-12,15H,2,4,7,10H2,1H3
InChIKeySTUZQVVSJVFMQF-UHFFFAOYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.25
LogP ≤ 54.91
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-(2-bicyclo[2.2.1]heptanyl)-2-(3-iodophenyl)imidazole
CID 114246983
3-[2-(3-methoxyphenyl)imidazol-1-yl]-1-methylpiperidine
CID 154817064
1-[3-(1-cyclopropylimidazol-2-yl)phenyl]-N,N-dimethylmethanamine
CID 155919706
cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol
CID 155914793
(2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine
CID 154566736
4-[2-(3-bromophenyl)imidazol-1-yl]piperidine
CID 82559766
4-[1-[(2R,4R)-1,2-dimethylpiperidin-4-yl]imidazol-2-yl]phenol
CID 155493826
acetic acid;cis-(1S,3R)-3-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]cyclopentan-1-ol
CID 155972389
trans-(1R,3R)-3-[2-(4-methylsulfonylphenyl)imidazol-1-yl]cyclohexan-1-amine
CID 154566008
N-butyl-1-(3-methylcyclohexyl)imidazol-2-amine
CID 106561726
1-(3-methylcyclohexyl)pyrrole-2-carbaldehyde
CID 43476950
[(1S,3R)-3-[2-[2-(dimethylamino)pyrimidin-5-yl]imidazol-1-yl]cyclohexyl]methanol
CID 154823973

Frequently Asked Questions

What is the IUPAC name of 2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole?
The IUPAC name of 2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole (CID 79787135) is 2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole.
What is the SMILES notation for 2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole?
The canonical SMILES for 2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole is CC1CCCC(n2ccnc2-c2cccc(I)c2)C1.
What is the InChIKey of 2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole?
The InChIKey is STUZQVVSJVFMQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19IN2/c1-12-4-2-7-15(10-12)19-9-8-18-16(19)13-5-3-6-14(17)11-13/h3,5-6,8-9,11-12,15H,2,4,7,10H2,1H3.
What are the key properties of 2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole?
2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole has a molecular weight of 366.25 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-iodophenyl)-1-(3-methylcyclohexyl)imidazole is sourced from PubChem (CID 79787135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).