1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole

C12H16N2 — CID 165177960

IUPAC1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole
SMILESCC(C)c1ccc(N2C=NCC2)cc1
InChIInChI=1S/C12H16N2/c1-10(2)11-3-5-12(6-4-11)14-8-7-13-9-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyFYHAECNQRBKWAF-UHFFFAOYSA-N
MW188.27 g/mol
LogP2.66
Rot. Bonds2

About 1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole

1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole (PubChem CID 165177960) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole
PubChem CID165177960
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole
SMILESCC(C)c1ccc(N2C=NCC2)cc1
InChIInChI=1S/C12H16N2/c1-10(2)11-3-5-12(6-4-11)14-8-7-13-9-14/h3-6,9-10H,7-8H2,1-2H3
InChIKeyFYHAECNQRBKWAF-UHFFFAOYSA-N
XLogP2.66
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole (CID 165177960) is 1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole is CC(C)c1ccc(N2C=NCC2)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole?
The InChIKey is FYHAECNQRBKWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10(2)11-3-5-12(6-4-11)14-8-7-13-9-14/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole?
1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole has a molecular weight of 188.27 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)-4,5-dihydroimidazole is sourced from PubChem (CID 165177960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).