2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine

C16H17N3 — CID 12632116

IUPAC2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine
SMILESc1ccc([C@H](CC2=NCCN2)c2ccccn2)cc1
InChIInChI=1S/C16H17N3/c1-2-6-13(7-3-1)14(12-16-18-10-11-19-16)15-8-4-5-9-17-15/h1-9,14H,10-12H2,(H,18,19)/t14-/m0/s1
InChIKeyTYZQFNOLWJGHRZ-AWEZNQCLSA-N
MW251.33 g/mol
LogP2.61
Rot. Bonds4

About 2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine

2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine (PubChem CID 12632116) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine.

Molecular Properties

Compound Name2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine
PubChem CID12632116
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine
SMILESc1ccc([C@H](CC2=NCCN2)c2ccccn2)cc1
InChIInChI=1S/C16H17N3/c1-2-6-13(7-3-1)14(12-16-18-10-11-19-16)15-8-4-5-9-17-15/h1-9,14H,10-12H2,(H,18,19)/t14-/m0/s1
InChIKeyTYZQFNOLWJGHRZ-AWEZNQCLSA-N
XLogP2.61
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5-dihydro-1H-imidazole;2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine
CID 69188313
3-(4,5-dihydro-1H-imidazol-2-yl)-1,1-diphenylpropane-2-thiol
CID 88809671
N,N-dimethyl-3-phenyl-3-pyridin-2-ylpropan-1-amine;2-(naphthalen-1-ylmethyl)-4,5-dihydro-1H-imidazole
CID 67438328
2-[3-(4,5-dihydro-1H-imidazol-2-yl)-1-(3-methoxyphenyl)-2-methylpropyl]pyridine
CID 59912621
N,N-dimethyl-2-phenyl-2-pyridin-2-ylethanamine;hydrochloride
CID 54610221
3,5-bis[(2S)-2-phenyl-2-pyridin-2-ylethyl]pyridine
CID 135358069
dimethyl-[(3R)-3-phenyl-3-pyridin-2-ylpropyl]azanium
CID 6954515
(4S)-4-phenyl-4-pyridin-2-ylbutanoic acid
CID 95562119
1-N-(3-phenyl-3-pyridin-2-ylpropyl)butane-1,3-diamine
CID 57086603
(3R)-N-methoxy-N-methyl-3-phenyl-3-pyridin-2-ylpropan-1-amine
CID 125488138
1-benzyl-4-(3-phenyl-3-pyridin-2-ylpropyl)piperazine
CID 86201400
3-phenyl-3-pyridin-2-ylpropanenitrile
CID 10465646

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine?
The IUPAC name of 2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine (CID 12632116) is 2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine.
What is the SMILES notation for 2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine?
The canonical SMILES for 2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine is c1ccc([C@H](CC2=NCCN2)c2ccccn2)cc1.
What is the InChIKey of 2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine?
The InChIKey is TYZQFNOLWJGHRZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-6-13(7-3-1)14(12-16-18-10-11-19-16)15-8-4-5-9-17-15/h1-9,14H,10-12H2,(H,18,19)/t14-/m0/s1.
What are the key properties of 2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine?
2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine has a molecular weight of 251.33 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-(4,5-dihydro-1H-imidazol-2-yl)-1-phenylethyl]pyridine is sourced from PubChem (CID 12632116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).