3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine

C17H17N3 — CID 11747457

IUPAC3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine
SMILESC(=C/c1cccnc1)\C1=NCCN1Cc1ccccc1
InChIInChI=1S/C17H17N3/c1-2-5-16(6-3-1)14-20-12-11-19-17(20)9-8-15-7-4-10-18-13-15/h1-10,13H,11-12,14H2/b9-8+
InChIKeyWIKCSTXSMQLPMR-CMDGGOBGSA-N
MW263.34 g/mol
LogP3.01
Rot. Bonds4

About 3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine

3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine (PubChem CID 11747457) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine
PubChem CID11747457
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC Name3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine
SMILESC(=C/c1cccnc1)\C1=NCCN1Cc1ccccc1
InChIInChI=1S/C17H17N3/c1-2-5-16(6-3-1)14-20-12-11-19-17(20)9-8-15-7-4-10-18-13-15/h1-10,13H,11-12,14H2/b9-8+
InChIKeyWIKCSTXSMQLPMR-CMDGGOBGSA-N
XLogP3.01
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(chloromethyl)-4,5-dihydroimidazol-1-yl]methyl]pyridine
CID 68917390
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CID 175746701
3-[(E)-3-phenylprop-2-enyl]pyridine
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3-(4-phenylbuta-1,3-dienyl)pyridine
CID 71359861
3-[(E)-2-[3,5-bis[(E)-2-pyridin-3-ylethenyl]phenyl]ethenyl]pyridine
CID 175663425
1-benzyl-2-(2-phenylethyl)-4,5-dihydroimidazole
CID 86006012
1-(2-benzhydryloxyethyl)-4-[(E)-3-pyridin-3-ylprop-2-enyl]piperazine
CID 10811697
3-[2-(2-chlorophenyl)ethenyl]pyridine
CID 70452077
2,3,5,6-tetrakis[(E)-2-pyridin-3-ylethenyl]pyrazine
CID 19937846
8-benzyl-2,4-bis(pyridin-3-ylmethylidene)-8-azabicyclo[3.2.1]octan-3-one
CID 71845911
3-[(4-chlorophenyl)methyl]-2-[(E)-2-pyridin-3-ylethenyl]quinazolin-4-one
CID 53245568
4-pyridin-3-ylbut-3-enoic acid
CID 439

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine?
The IUPAC name of 3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine (CID 11747457) is 3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine is C(=C/c1cccnc1)\C1=NCCN1Cc1ccccc1.
What is the InChIKey of 3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine?
The InChIKey is WIKCSTXSMQLPMR-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H17N3/c1-2-5-16(6-3-1)14-20-12-11-19-17(20)9-8-15-7-4-10-18-13-15/h1-10,13H,11-12,14H2/b9-8+.
What are the key properties of 3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine?
3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine has a molecular weight of 263.34 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(1-benzyl-4,5-dihydroimidazol-2-yl)ethenyl]pyridine is sourced from PubChem (CID 11747457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).