2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine

C22H18N2 — CID 166446555

IUPAC2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine
SMILESc1ccc(Cc2cc(-c3ccccn3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2/c1-3-9-17(10-4-1)15-19-16-21(20-13-7-8-14-23-20)24-22(19)18-11-5-2-6-12-18/h1-14,16,24H,15H2
InChIKeyRJDPHJUSEDJVII-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.33
Rot. Bonds4

About 2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine

2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine (PubChem CID 166446555) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine.

Molecular Properties

Compound Name2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine
PubChem CID166446555
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine
SMILESc1ccc(Cc2cc(-c3ccccn3)[nH]c2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2/c1-3-9-17(10-4-1)15-19-16-21(20-13-7-8-14-23-20)24-22(19)18-11-5-2-6-12-18/h1-14,16,24H,15H2
InChIKeyRJDPHJUSEDJVII-UHFFFAOYSA-N
XLogP5.33
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-pyridin-2-yl-1,4-dihydropyrrolo[3,2-b]pyrrole-5,6-dione
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2-[4,5-bis(trifluoromethyl)-1H-pyrrol-2-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine?
The IUPAC name of 2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine (CID 166446555) is 2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine.
What is the SMILES notation for 2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine?
The canonical SMILES for 2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine is c1ccc(Cc2cc(-c3ccccn3)[nH]c2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine?
The InChIKey is RJDPHJUSEDJVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c1-3-9-17(10-4-1)15-19-16-21(20-13-7-8-14-23-20)24-22(19)18-11-5-2-6-12-18/h1-14,16,24H,15H2.
What are the key properties of 2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine?
2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine has a molecular weight of 310.40 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-5-phenyl-1H-pyrrol-2-yl)pyridine is sourced from PubChem (CID 166446555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).