1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine

C22H21NO — CID 67710346

IUPAC1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
SMILESC(=Cc1ccccc1)C1=CCN(Cc2coc3ccccc23)CC1
InChIInChI=1S/C22H21NO/c1-2-6-18(7-3-1)10-11-19-12-14-23(15-13-19)16-20-17-24-22-9-5-4-8-21(20)22/h1-12,17H,13-16H2
InChIKeyIKQBQFUHXQCQPX-UHFFFAOYSA-N
MW315.42 g/mol
LogP5.28
Rot. Bonds4

About 1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine

1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine (PubChem CID 67710346) has the molecular formula C22H21NO and a molecular weight of 315.42 g/mol. Its IUPAC name is 1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
PubChem CID67710346
Molecular FormulaC22H21NO
Molecular Weight315.42 g/mol
Exact Mass315.16
IUPAC Name1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
SMILESC(=Cc1ccccc1)C1=CCN(Cc2coc3ccccc23)CC1
InChIInChI=1S/C22H21NO/c1-2-6-18(7-3-1)10-11-19-12-14-23(15-13-19)16-20-17-24-22-9-5-4-8-21(20)22/h1-12,17H,13-16H2
InChIKeyIKQBQFUHXQCQPX-UHFFFAOYSA-N
XLogP5.28
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-(1-benzofuran-3-ylmethyl)-3,6-dihydro-2H-pyridine
CID 22914752
1-benzyl-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 54506331
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
1-[(4-fluorophenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 67583405
1-benzyl-4-[2-(4-fluorophenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 54324538
1-(3-methyl-1-benzofuran-2-yl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine
CID 67717931
1-benzyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 1376754
1-[(3-methoxyphenyl)methyl]-4-[(E)-2-phenylethenyl]-3,6-dihydro-2H-pyridine
CID 15818890
1-benzyl-4-[(E)-2-thiophen-3-ylethenyl]-3,6-dihydro-2H-pyridine
CID 67582460
1-benzyl-4-[2-(3-methoxyphenyl)ethenyl]-3,6-dihydro-2H-pyridine
CID 67583435
2-[4-(1-benzofuran-3-ylmethyl)-1,4-diazepan-1-yl]acetic acid
CID 80703690
2-(1-benzofuran-3-ylmethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522440

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine (CID 67710346) is 1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine is C(=Cc1ccccc1)C1=CCN(Cc2coc3ccccc23)CC1.
What is the InChIKey of 1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine?
The InChIKey is IKQBQFUHXQCQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21NO/c1-2-6-18(7-3-1)10-11-19-12-14-23(15-13-19)16-20-17-24-22-9-5-4-8-21(20)22/h1-12,17H,13-16H2.
What are the key properties of 1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine?
1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine has a molecular weight of 315.42 g/mol, XLogP of 5.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-ylmethyl)-4-(2-phenylethenyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 67710346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).