3-(1-benzyl-4-pyridinylidene)indole

C20H16N2 — CID 12858718

IUPAC3-(1-benzyl-4-pyridinylidene)indole
SMILESC1=CN(Cc2ccccc2)C=CC1=C1C=Nc2ccccc21
InChIInChI=1S/C20H16N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-14H,15H2
InChIKeyYWOZLPRSHVUKJK-UHFFFAOYSA-N
MW284.36 g/mol
LogP4.70
Rot. Bonds2

About 3-(1-benzyl-4-pyridinylidene)indole

3-(1-benzyl-4-pyridinylidene)indole (PubChem CID 12858718) has the molecular formula C20H16N2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(1-benzyl-4-pyridinylidene)indole.

Molecular Properties

Compound Name3-(1-benzyl-4-pyridinylidene)indole
PubChem CID12858718
Molecular FormulaC20H16N2
Molecular Weight284.36 g/mol
Exact Mass284.13
IUPAC Name3-(1-benzyl-4-pyridinylidene)indole
SMILESC1=CN(Cc2ccccc2)C=CC1=C1C=Nc2ccccc21
InChIInChI=1S/C20H16N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-14H,15H2
InChIKeyYWOZLPRSHVUKJK-UHFFFAOYSA-N
XLogP4.70
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-4-pyridinylidene)indole?
The IUPAC name of 3-(1-benzyl-4-pyridinylidene)indole (CID 12858718) is 3-(1-benzyl-4-pyridinylidene)indole.
What is the SMILES notation for 3-(1-benzyl-4-pyridinylidene)indole?
The canonical SMILES for 3-(1-benzyl-4-pyridinylidene)indole is C1=CN(Cc2ccccc2)C=CC1=C1C=Nc2ccccc21.
What is the InChIKey of 3-(1-benzyl-4-pyridinylidene)indole?
The InChIKey is YWOZLPRSHVUKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2/c1-2-6-16(7-3-1)15-22-12-10-17(11-13-22)19-14-21-20-9-5-4-8-18(19)20/h1-14H,15H2.
What are the key properties of 3-(1-benzyl-4-pyridinylidene)indole?
3-(1-benzyl-4-pyridinylidene)indole has a molecular weight of 284.36 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-4-pyridinylidene)indole is sourced from PubChem (CID 12858718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).