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

C12H16N2 — CID 10997791

IUPAC2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole
SMILESC[C@@H](CC1=NCCN1)c1ccccc1
InChIInChI=1S/C12H16N2/c1-10(9-12-13-7-8-14-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyDTPSERSDLDHWEK-JTQLQIEISA-N
MW188.27 g/mol
LogP2.18
Rot. Bonds3

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

2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole (PubChem CID 10997791) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole
PubChem CID10997791
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole
SMILESC[C@@H](CC1=NCCN1)c1ccccc1
InChIInChI=1S/C12H16N2/c1-10(9-12-13-7-8-14-12)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,13,14)/t10-/m0/s1
InChIKeyDTPSERSDLDHWEK-JTQLQIEISA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole (CID 10997791) is 2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole is C[C@@H](CC1=NCCN1)c1ccccc1.
What is the InChIKey of 2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole?
The InChIKey is DTPSERSDLDHWEK-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16N2/c1-10(9-12-13-7-8-14-12)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)-2-phenylpropyl]-4,5-dihydro-1H-imidazole?
2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole has a molecular weight of 188.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-phenylpropyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 10997791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).