3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

C18H18N2 — CID 115404252

IUPAC3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCc1ccn2c3c(nc2c1)CCC(c1ccccc1)C3
InChIInChI=1S/C18H18N2/c1-13-9-10-20-17-12-15(14-5-3-2-4-6-14)7-8-16(17)19-18(20)11-13/h2-6,9-11,15H,7-8,12H2,1H3
InChIKeyLFMOFUIQLMNFFP-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.92
Rot. Bonds1

About 3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole

3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (PubChem CID 115404252) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
PubChem CID115404252
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole
SMILESCc1ccn2c3c(nc2c1)CCC(c1ccccc1)C3
InChIInChI=1S/C18H18N2/c1-13-9-10-20-17-12-15(14-5-3-2-4-6-14)7-8-16(17)19-18(20)11-13/h2-6,9-11,15H,7-8,12H2,1H3
InChIKeyLFMOFUIQLMNFFP-UHFFFAOYSA-N
XLogP3.92
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole 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-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The IUPAC name of 3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole (CID 115404252) is 3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole.
What is the SMILES notation for 3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The canonical SMILES for 3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is Cc1ccn2c3c(nc2c1)CCC(c1ccccc1)C3.
What is the InChIKey of 3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
The InChIKey is LFMOFUIQLMNFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-9-10-20-17-12-15(14-5-3-2-4-6-14)7-8-16(17)19-18(20)11-13/h2-6,9-11,15H,7-8,12H2,1H3.
What are the key properties of 3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole?
3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole has a molecular weight of 262.36 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-phenyl-6,7,8,9-tetrahydropyrido[1,2-a]benzimidazole is sourced from PubChem (CID 115404252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).