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

C12H16N2 — CID 10987033

IUPAC2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole
SMILESC[C@@H](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)/t10-/m0/s1
InChIKeyHMVNAMVZVZPOCS-JTQLQIEISA-N
MW188.27 g/mol
LogP1.87
Rot. Bonds3

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

2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole (PubChem CID 10987033) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole
PubChem CID10987033
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole
SMILESC[C@@H](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)/t10-/m0/s1
InChIKeyHMVNAMVZVZPOCS-JTQLQIEISA-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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Related Compounds

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CID 5709
(+-)-Tetrahydrozoline
CID 5419
Tolazoline
CID 5504
Tolazoline Hydrochloride
CID 6048
Tetrahydrozoline Hydrochloride
CID 10648
Xylometazoline Hydrochloride
CID 5282386
Cibenzoline
CID 2747
2-Phenylimidazoline
CID 13639
Phenyzoline
CID 33273
Tracizoline
CID 6455104
2-IMIDAZOLINE, 2-(4-tert-BUTYL-2,6-DIMETHYLBENZYL)-, MONOHYDROCHLORIDE
CID 14634
2-(3-methylphenyl)-4,5-dihydro-1H-imidazole
CID 3746427

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole (CID 10987033) is 2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole is C[C@@H](Cc1ccccc1)C1=NCCN1.
What is the InChIKey of 2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is HMVNAMVZVZPOCS-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of 2-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole?
2-[(2S)-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-[(2S)-1-phenylpropan-2-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10987033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).