7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine

C23H21ClN2 — CID 67141919

IUPAC7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cc2cccc(Cl)c2)c2c(Cc3ccccc3)nccc12
InChIInChI=1S/C23H21ClN2/c1-16-17(2)26(15-19-9-6-10-20(24)13-19)23-21(16)11-12-25-22(23)14-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3
InChIKeyKPZSGIUTESNLAX-UHFFFAOYSA-N
MW360.89 g/mol
LogP5.95
Rot. Bonds4

About 7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine

7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine (PubChem CID 67141919) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
PubChem CID67141919
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine
SMILESCc1c(C)n(Cc2cccc(Cl)c2)c2c(Cc3ccccc3)nccc12
InChIInChI=1S/C23H21ClN2/c1-16-17(2)26(15-19-9-6-10-20(24)13-19)23-21(16)11-12-25-22(23)14-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3
InChIKeyKPZSGIUTESNLAX-UHFFFAOYSA-N
XLogP5.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The IUPAC name of 7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine (CID 67141919) is 7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine is Cc1c(C)n(Cc2cccc(Cl)c2)c2c(Cc3ccccc3)nccc12.
What is the InChIKey of 7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
The InChIKey is KPZSGIUTESNLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2/c1-16-17(2)26(15-19-9-6-10-20(24)13-19)23-21(16)11-12-25-22(23)14-18-7-4-3-5-8-18/h3-13H,14-15H2,1-2H3.
What are the key properties of 7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine?
7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine has a molecular weight of 360.89 g/mol, XLogP of 5.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-[(3-chlorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 67141919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).