2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole

C12H16N2 — CID 12863226

IUPAC2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole
SMILESCC(C)c1ccc(C2=NCCN2)cc1
InChIInChI=1S/C12H16N2/c1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChIKeyLDRLAKKRJUQXGI-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.16
Rot. Bonds2

About 2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole

2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole (PubChem CID 12863226) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole
PubChem CID12863226
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole
SMILESCC(C)c1ccc(C2=NCCN2)cc1
InChIInChI=1S/C12H16N2/c1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12/h3-6,9H,7-8H2,1-2H3,(H,13,14)
InChIKeyLDRLAKKRJUQXGI-UHFFFAOYSA-N
XLogP2.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole (CID 12863226) is 2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole is CC(C)c1ccc(C2=NCCN2)cc1.
What is the InChIKey of 2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole?
The InChIKey is LDRLAKKRJUQXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-9(2)10-3-5-11(6-4-10)12-13-7-8-14-12/h3-6,9H,7-8H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole?
2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole has a molecular weight of 188.27 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propan-2-ylphenyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 12863226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).