1-(4-tert-butyl-3-chlorophenyl)imidazole

C13H15ClN2 — CID 90292213

IUPAC1-(4-tert-butyl-3-chlorophenyl)imidazole
SMILESCC(C)(C)c1ccc(-n2ccnc2)cc1Cl
InChIInChI=1S/C13H15ClN2/c1-13(2,3)11-5-4-10(8-12(11)14)16-7-6-15-9-16/h4-9H,1-3H3
InChIKeyOIWGAMVYBHGVQM-UHFFFAOYSA-N
MW234.73 g/mol
LogP3.82
Rot. Bonds1

About 1-(4-tert-butyl-3-chlorophenyl)imidazole

1-(4-tert-butyl-3-chlorophenyl)imidazole (PubChem CID 90292213) has the molecular formula C13H15ClN2 and a molecular weight of 234.73 g/mol. Its IUPAC name is 1-(4-tert-butyl-3-chlorophenyl)imidazole.

Molecular Properties

Compound Name1-(4-tert-butyl-3-chlorophenyl)imidazole
PubChem CID90292213
Molecular FormulaC13H15ClN2
Molecular Weight234.73 g/mol
Exact Mass234.09
IUPAC Name1-(4-tert-butyl-3-chlorophenyl)imidazole
SMILESCC(C)(C)c1ccc(-n2ccnc2)cc1Cl
InChIInChI=1S/C13H15ClN2/c1-13(2,3)11-5-4-10(8-12(11)14)16-7-6-15-9-16/h4-9H,1-3H3
InChIKeyOIWGAMVYBHGVQM-UHFFFAOYSA-N
XLogP3.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.73
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-tert-butylphenyl)imidazole
CID 59332766
1-(3-fluoro-4-methylphenyl)imidazole
CID 18758587
4-imidazol-1-yl-2-methylaniline
CID 14450260
1-[4-[3,5-bis(4-imidazol-1-ylphenyl)phenyl]phenyl]imidazole
CID 102142171
3,6-ditert-butyl-9-(3-imidazol-1-ylphenyl)carbazole
CID 175094962
1-naphthalen-2-ylimidazole
CID 23644748
3-chloro-N-[(4-imidazol-1-ylphenyl)methyl]-4-methylaniline
CID 43229429
1-(2,4-dichlorophenyl)-1-imidazol-1-ylethanol
CID 22379743
dimethylamino-(4-imidazol-1-ylphenyl)-sulfanylidenephosphanium
CID 6338117
(4-imidazol-1-ylphenyl)arsane
CID 173134933
2-bromo-5-imidazol-1-ylphenol
CID 84701020
2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229402

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3-chlorophenyl)imidazole?
The IUPAC name of 1-(4-tert-butyl-3-chlorophenyl)imidazole (CID 90292213) is 1-(4-tert-butyl-3-chlorophenyl)imidazole.
What is the SMILES notation for 1-(4-tert-butyl-3-chlorophenyl)imidazole?
The canonical SMILES for 1-(4-tert-butyl-3-chlorophenyl)imidazole is CC(C)(C)c1ccc(-n2ccnc2)cc1Cl.
What is the InChIKey of 1-(4-tert-butyl-3-chlorophenyl)imidazole?
The InChIKey is OIWGAMVYBHGVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2/c1-13(2,3)11-5-4-10(8-12(11)14)16-7-6-15-9-16/h4-9H,1-3H3.
What are the key properties of 1-(4-tert-butyl-3-chlorophenyl)imidazole?
1-(4-tert-butyl-3-chlorophenyl)imidazole has a molecular weight of 234.73 g/mol, XLogP of 3.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3-chlorophenyl)imidazole is sourced from PubChem (CID 90292213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).