3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

C18H19N3 — CID 81456452

IUPAC3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cccc2nc(C3Cc4ccccc4CN3)n(C)c12
InChIInChI=1S/C18H19N3/c1-12-6-5-9-15-17(12)21(2)18(20-15)16-10-13-7-3-4-8-14(13)11-19-16/h3-9,16,19H,10-11H2,1-2H3
InChIKeyMQIAGKSGLGRABK-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.27
Rot. Bonds1

About 3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 81456452) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID81456452
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCc1cccc2nc(C3Cc4ccccc4CN3)n(C)c12
InChIInChI=1S/C18H19N3/c1-12-6-5-9-15-17(12)21(2)18(20-15)16-10-13-7-3-4-8-14(13)11-19-16/h3-9,16,19H,10-11H2,1-2H3
InChIKeyMQIAGKSGLGRABK-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline 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-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline (CID 81456452) is 3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is Cc1cccc2nc(C3Cc4ccccc4CN3)n(C)c12.
What is the InChIKey of 3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is MQIAGKSGLGRABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-12-6-5-9-15-17(12)21(2)18(20-15)16-10-13-7-3-4-8-14(13)11-19-16/h3-9,16,19H,10-11H2,1-2H3.
What are the key properties of 3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline?
3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 277.37 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,7-dimethylbenzimidazol-2-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 81456452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).