5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole

C16H22N2 — CID 123757908

IUPAC5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole
SMILESCC(C)CC(C)(C)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C16H22N2/c1-12(2)9-16(3,4)14-7-5-13(6-8-14)15-10-17-11-18-15/h5-8,10-12H,9H2,1-4H3,(H,17,18)
InChIKeyFJVDEFUEVAJDDV-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.40
Rot. Bonds4

About 5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole

5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole (PubChem CID 123757908) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole
PubChem CID123757908
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole
SMILESCC(C)CC(C)(C)c1ccc(-c2cnc[nH]2)cc1
InChIInChI=1S/C16H22N2/c1-12(2)9-16(3,4)14-7-5-13(6-8-14)15-10-17-11-18-15/h5-8,10-12H,9H2,1-4H3,(H,17,18)
InChIKeyFJVDEFUEVAJDDV-UHFFFAOYSA-N
XLogP4.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole?
The IUPAC name of 5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole (CID 123757908) is 5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole.
What is the SMILES notation for 5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole?
The canonical SMILES for 5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole is CC(C)CC(C)(C)c1ccc(-c2cnc[nH]2)cc1.
What is the InChIKey of 5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole?
The InChIKey is FJVDEFUEVAJDDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c1-12(2)9-16(3,4)14-7-5-13(6-8-14)15-10-17-11-18-15/h5-8,10-12H,9H2,1-4H3,(H,17,18).
What are the key properties of 5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole?
5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole has a molecular weight of 242.37 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole is sourced from PubChem (CID 123757908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).