1-benzylisoquinoline;1H-pyrrole

C20H18N2 — CID 175525333

IUPAC1-benzylisoquinoline;1H-pyrrole
SMILESc1cc[nH]c1.c1ccc(Cc2nccc3ccccc23)cc1
InChIInChI=1S/C16H13N.C4H5N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16;1-2-4-5-3-1/h1-11H,12H2;1-5H
InChIKeyXLXNDQHFQGUMAD-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.84
Rot. Bonds2

About 1-benzylisoquinoline;1H-pyrrole

1-benzylisoquinoline;1H-pyrrole (PubChem CID 175525333) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-benzylisoquinoline;1H-pyrrole.

Molecular Properties

Compound Name1-benzylisoquinoline;1H-pyrrole
PubChem CID175525333
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name1-benzylisoquinoline;1H-pyrrole
SMILESc1cc[nH]c1.c1ccc(Cc2nccc3ccccc23)cc1
InChIInChI=1S/C16H13N.C4H5N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16;1-2-4-5-3-1/h1-11H,12H2;1-5H
InChIKeyXLXNDQHFQGUMAD-UHFFFAOYSA-N
XLogP4.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-benzylisoquinoline;1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzylisoquinoline;1H-pyrrole?
The IUPAC name of 1-benzylisoquinoline;1H-pyrrole (CID 175525333) is 1-benzylisoquinoline;1H-pyrrole.
What is the SMILES notation for 1-benzylisoquinoline;1H-pyrrole?
The canonical SMILES for 1-benzylisoquinoline;1H-pyrrole is c1cc[nH]c1.c1ccc(Cc2nccc3ccccc23)cc1.
What is the InChIKey of 1-benzylisoquinoline;1H-pyrrole?
The InChIKey is XLXNDQHFQGUMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N.C4H5N/c1-2-6-13(7-3-1)12-16-15-9-5-4-8-14(15)10-11-17-16;1-2-4-5-3-1/h1-11H,12H2;1-5H.
What are the key properties of 1-benzylisoquinoline;1H-pyrrole?
1-benzylisoquinoline;1H-pyrrole has a molecular weight of 286.38 g/mol, XLogP of 4.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylisoquinoline;1H-pyrrole is sourced from PubChem (CID 175525333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).