3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline

C24H22N2O2 — CID 102488498

IUPAC3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline
SMILESCOc1ccc2c(c1OCc1ccccc1)CC(C)n1c-2nc2ccccc21
InChIInChI=1S/C24H22N2O2/c1-16-14-19-18(24-25-20-10-6-7-11-21(20)26(16)24)12-13-22(27-2)23(19)28-15-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3
InChIKeyNUOYPKLWFIJYCG-UHFFFAOYSA-N
MW370.45 g/mol
LogP5.41
Rot. Bonds4

About 3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline

3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline (PubChem CID 102488498) has the molecular formula C24H22N2O2 and a molecular weight of 370.45 g/mol. Its IUPAC name is 3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline.

Molecular Properties

Compound Name3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline
PubChem CID102488498
Molecular FormulaC24H22N2O2
Molecular Weight370.45 g/mol
Exact Mass370.17
IUPAC Name3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline
SMILESCOc1ccc2c(c1OCc1ccccc1)CC(C)n1c-2nc2ccccc21
InChIInChI=1S/C24H22N2O2/c1-16-14-19-18(24-25-20-10-6-7-11-21(20)26(16)24)12-13-22(27-2)23(19)28-15-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3
InChIKeyNUOYPKLWFIJYCG-UHFFFAOYSA-N
XLogP5.41
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.45
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline 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 3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline?
The IUPAC name of 3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline (CID 102488498) is 3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline.
What is the SMILES notation for 3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline?
The canonical SMILES for 3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline is COc1ccc2c(c1OCc1ccccc1)CC(C)n1c-2nc2ccccc21.
What is the InChIKey of 3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline?
The InChIKey is NUOYPKLWFIJYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O2/c1-16-14-19-18(24-25-20-10-6-7-11-21(20)26(16)24)12-13-22(27-2)23(19)28-15-17-8-4-3-5-9-17/h3-13,16H,14-15H2,1-2H3.
What are the key properties of 3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline?
3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline has a molecular weight of 370.45 g/mol, XLogP of 5.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-6-methyl-4-phenylmethoxy-5,6-dihydrobenzimidazolo[2,1-a]isoquinoline is sourced from PubChem (CID 102488498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).