1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole

C15H17N3 — CID 175980839

IUPAC1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole
SMILESCC1=CC(C)N(n2cnc3ccccc32)C(C)=C1
InChIInChI=1S/C15H17N3/c1-11-8-12(2)18(13(3)9-11)17-10-16-14-6-4-5-7-15(14)17/h4-10,12H,1-3H3
InChIKeyKHIGBCXVVPGFMM-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.23
Rot. Bonds1

About 1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole

1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole (PubChem CID 175980839) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole.

Molecular Properties

Compound Name1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole
PubChem CID175980839
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole
SMILESCC1=CC(C)N(n2cnc3ccccc32)C(C)=C1
InChIInChI=1S/C15H17N3/c1-11-8-12(2)18(13(3)9-11)17-10-16-14-6-4-5-7-15(14)17/h4-10,12H,1-3H3
InChIKeyKHIGBCXVVPGFMM-UHFFFAOYSA-N
XLogP3.23
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole with MolForge

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

Launch Full Analysis

Related Compounds

CID 172839062
CID 172839062
2-(benzimidazol-1-yl)-3-methylquinoxaline
CID 115579889
1-(4-methylidene-1-pyridinyl)benzimidazole
CID 23534275
3-(benzimidazol-1-yl)-4-methylaniline
CID 82512834
1-(1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)benzimidazole
CID 139891496
1-methylbenzimidazole;propane
CID 91130597
2,2-dimethylpropane;1-methylbenzimidazole
CID 167554382
4-(benzimidazol-1-yl)cyclohexan-1-amine;dihydrochloride
CID 171992049
1-hydroxybenzimidazole;hydrate
CID 22048229
1-(4-methylphenyl)sulfanylbenzimidazole
CID 174957197
bis(benzimidazol-1-yl) carbonate
CID 57193653
3,7,11-tris(benzimidazol-1-yl)-13-azatricyclo[7.3.1.05,13]trideca-1(12),2,4,6,8,10-hexaene
CID 58536544

Frequently Asked Questions

What is the IUPAC name of 1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole?
The IUPAC name of 1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole (CID 175980839) is 1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole.
What is the SMILES notation for 1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole?
The canonical SMILES for 1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole is CC1=CC(C)N(n2cnc3ccccc32)C(C)=C1.
What is the InChIKey of 1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole?
The InChIKey is KHIGBCXVVPGFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-11-8-12(2)18(13(3)9-11)17-10-16-14-6-4-5-7-15(14)17/h4-10,12H,1-3H3.
What are the key properties of 1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole?
1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole has a molecular weight of 239.32 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4,6-trimethyl-2H-pyridin-1-yl)benzimidazole is sourced from PubChem (CID 175980839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).