2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole

C12H15ClN2 — CID 122179429

IUPAC2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole
SMILESCC(Cc1ccccc1Cl)C1=NCCN1
InChIInChI=1S/C12H15ClN2/c1-9(12-14-6-7-15-12)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyAYNXDFXUPKGGFC-UHFFFAOYSA-N
MW222.72 g/mol
LogP2.52
Rot. Bonds3

About 2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole

2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole (PubChem CID 122179429) has the molecular formula C12H15ClN2 and a molecular weight of 222.72 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole
PubChem CID122179429
Molecular FormulaC12H15ClN2
Molecular Weight222.72 g/mol
Exact Mass222.09
IUPAC Name2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole
SMILESCC(Cc1ccccc1Cl)C1=NCCN1
InChIInChI=1S/C12H15ClN2/c1-9(12-14-6-7-15-12)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3,(H,14,15)
InChIKeyAYNXDFXUPKGGFC-UHFFFAOYSA-N
XLogP2.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole (CID 122179429) is 2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole is CC(Cc1ccccc1Cl)C1=NCCN1.
What is the InChIKey of 2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is AYNXDFXUPKGGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2/c1-9(12-14-6-7-15-12)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole?
2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 222.72 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)propan-2-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 122179429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).