1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine

C20H19ClN2 — CID 53320866

IUPAC1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESClc1ccc(Cn2cc(-c3ccccc3)c3c2CCNC3)cc1
InChIInChI=1S/C20H19ClN2/c21-17-8-6-15(7-9-17)13-23-14-19(16-4-2-1-3-5-16)18-12-22-11-10-20(18)23/h1-9,14,22H,10-13H2
InChIKeyAAZXEZKPZCLJNV-UHFFFAOYSA-N
MW322.84 g/mol
LogP4.50
Rot. Bonds3

About 1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine

1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine (PubChem CID 53320866) has the molecular formula C20H19ClN2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
PubChem CID53320866
Molecular FormulaC20H19ClN2
Molecular Weight322.84 g/mol
Exact Mass322.12
IUPAC Name1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine
SMILESClc1ccc(Cn2cc(-c3ccccc3)c3c2CCNC3)cc1
InChIInChI=1S/C20H19ClN2/c21-17-8-6-15(7-9-17)13-23-14-19(16-4-2-1-3-5-16)18-12-22-11-10-20(18)23/h1-9,14,22H,10-13H2
InChIKeyAAZXEZKPZCLJNV-UHFFFAOYSA-N
XLogP4.50
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine (CID 53320866) is 1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine is Clc1ccc(Cn2cc(-c3ccccc3)c3c2CCNC3)cc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
The InChIKey is AAZXEZKPZCLJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2/c21-17-8-6-15(7-9-17)13-23-14-19(16-4-2-1-3-5-16)18-12-22-11-10-20(18)23/h1-9,14,22H,10-13H2.
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine?
1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine has a molecular weight of 322.84 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-phenyl-4,5,6,7-tetrahydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 53320866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).