2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole

C12H16N2 — CID 10012705

IUPAC2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole
SMILESCC(Cc1ccccc1)C1=NCCN1
InChIInChI=1S/C12H16N2/c1-10(12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)
InChIKeyHMVNAMVZVZPOCS-UHFFFAOYSA-N
MW188.27 g/mol
LogP1.87
Rot. Bonds3

About 2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole

2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 10012705) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID10012705
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole
SMILESCC(Cc1ccccc1)C1=NCCN1
InChIInChI=1S/C12H16N2/c1-10(12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)
InChIKeyHMVNAMVZVZPOCS-UHFFFAOYSA-N
XLogP1.87
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole (CID 10012705) is 2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole is CC(Cc1ccccc1)C1=NCCN1.
What is the InChIKey of 2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is HMVNAMVZVZPOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2/c1-10(12-13-7-8-14-12)9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14).
What are the key properties of 2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole?
2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 188.27 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpropan-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10012705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).