1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine

C20H20N2 — CID 53323185

IUPAC1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESc1ccc(Cn2cc(-c3ccccc3)c3c2CCNC3)cc1
InChIInChI=1S/C20H20N2/c1-3-7-16(8-4-1)14-22-15-19(17-9-5-2-6-10-17)18-13-21-12-11-20(18)22/h1-10,15,21H,11-14H2
InChIKeyQIJGWWIAMMEZTK-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.85
Rot. Bonds3

About 1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine

1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 53323185) has the molecular formula C20H20N2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID53323185
Molecular FormulaC20H20N2
Molecular Weight288.39 g/mol
Exact Mass288.16
IUPAC Name1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESc1ccc(Cn2cc(-c3ccccc3)c3c2CCNC3)cc1
InChIInChI=1S/C20H20N2/c1-3-7-16(8-4-1)14-22-15-19(17-9-5-2-6-10-17)18-13-21-12-11-20(18)22/h1-10,15,21H,11-14H2
InChIKeyQIJGWWIAMMEZTK-UHFFFAOYSA-N
XLogP3.85
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 53323185) is 1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine is c1ccc(Cn2cc(-c3ccccc3)c3c2CCNC3)cc1.
What is the InChIKey of 1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is QIJGWWIAMMEZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2/c1-3-7-16(8-4-1)14-22-15-19(17-9-5-2-6-10-17)18-13-21-12-11-20(18)22/h1-10,15,21H,11-14H2.
What are the key properties of 1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 288.39 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53323185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).