1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

C21H21ClN2 — CID 11404955

IUPAC1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCN1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1
InChIInChI=1S/C21H21ClN2/c1-23-12-11-21-20(14-23)19(17-7-9-18(22)10-8-17)15-24(21)13-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3
InChIKeyCXFFUFSJNZALTH-UHFFFAOYSA-N
MW336.87 g/mol
LogP4.84
Rot. Bonds3

About 1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine

1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (PubChem CID 11404955) has the molecular formula C21H21ClN2 and a molecular weight of 336.87 g/mol. Its IUPAC name is 1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
PubChem CID11404955
Molecular FormulaC21H21ClN2
Molecular Weight336.87 g/mol
Exact Mass336.14
IUPAC Name1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
SMILESCN1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1
InChIInChI=1S/C21H21ClN2/c1-23-12-11-21-20(14-23)19(17-7-9-18(22)10-8-17)15-24(21)13-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3
InChIKeyCXFFUFSJNZALTH-UHFFFAOYSA-N
XLogP4.84
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.87
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine (CID 11404955) is 1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is CN1CCc2c(c(-c3ccc(Cl)cc3)cn2Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
The InChIKey is CXFFUFSJNZALTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2/c1-23-12-11-21-20(14-23)19(17-7-9-18(22)10-8-17)15-24(21)13-16-5-3-2-4-6-16/h2-10,15H,11-14H2,1H3.
What are the key properties of 1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine?
1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine has a molecular weight of 336.87 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(4-chlorophenyl)-5-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 11404955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).