1-(2-propan-2-ylphenyl)imidazole

C12H14N2 — CID 3015221

IUPAC1-(2-propan-2-ylphenyl)imidazole
SMILESCC(C)c1ccccc1-n1ccnc1
InChIInChI=1S/C12H14N2/c1-10(2)11-5-3-4-6-12(11)14-8-7-13-9-14/h3-10H,1-2H3
InChIKeyCFYUQXNGWZNTQA-UHFFFAOYSA-N
MW186.26 g/mol
LogP3.00
Rot. Bonds2

About 1-(2-propan-2-ylphenyl)imidazole

1-(2-propan-2-ylphenyl)imidazole (PubChem CID 3015221) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 1-(2-propan-2-ylphenyl)imidazole.

Molecular Properties

Compound Name1-(2-propan-2-ylphenyl)imidazole
PubChem CID3015221
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name1-(2-propan-2-ylphenyl)imidazole
SMILESCC(C)c1ccccc1-n1ccnc1
InChIInChI=1S/C12H14N2/c1-10(2)11-5-3-4-6-12(11)14-8-7-13-9-14/h3-10H,1-2H3
InChIKeyCFYUQXNGWZNTQA-UHFFFAOYSA-N
XLogP3.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-propan-2-ylphenyl)imidazole?
The IUPAC name of 1-(2-propan-2-ylphenyl)imidazole (CID 3015221) is 1-(2-propan-2-ylphenyl)imidazole.
What is the SMILES notation for 1-(2-propan-2-ylphenyl)imidazole?
The canonical SMILES for 1-(2-propan-2-ylphenyl)imidazole is CC(C)c1ccccc1-n1ccnc1.
What is the InChIKey of 1-(2-propan-2-ylphenyl)imidazole?
The InChIKey is CFYUQXNGWZNTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-10(2)11-5-3-4-6-12(11)14-8-7-13-9-14/h3-10H,1-2H3.
What are the key properties of 1-(2-propan-2-ylphenyl)imidazole?
1-(2-propan-2-ylphenyl)imidazole has a molecular weight of 186.26 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propan-2-ylphenyl)imidazole is sourced from PubChem (CID 3015221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).