2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine

C16H12F3N5 — CID 162615527

IUPAC2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(C)n(-c3ccc4nc(C(F)(F)F)[nH]c4c3)c2n1
InChIInChI=1S/C16H12F3N5/c1-8-3-5-12-14(20-8)24(9(2)21-12)10-4-6-11-13(7-10)23-15(22-11)16(17,18)19/h3-7H,1-2H3,(H,22,23)
InChIKeyURLWAYFBFZBWKM-UHFFFAOYSA-N
MW331.30 g/mol
LogP3.93
Rot. Bonds1

About 2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine

2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine (PubChem CID 162615527) has the molecular formula C16H12F3N5 and a molecular weight of 331.30 g/mol. Its IUPAC name is 2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine
PubChem CID162615527
Molecular FormulaC16H12F3N5
Molecular Weight331.30 g/mol
Exact Mass331.10
IUPAC Name2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine
SMILESCc1ccc2nc(C)n(-c3ccc4nc(C(F)(F)F)[nH]c4c3)c2n1
InChIInChI=1S/C16H12F3N5/c1-8-3-5-12-14(20-8)24(9(2)21-12)10-4-6-11-13(7-10)23-15(22-11)16(17,18)19/h3-7H,1-2H3,(H,22,23)
InChIKeyURLWAYFBFZBWKM-UHFFFAOYSA-N
XLogP3.93
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 153345504
2-(trifluoromethyl)-3H-benzimidazol-5-amine;dihydrochloride
CID 6431732
2-(trifluoromethyl)-3H-benzimidazol-5-amine chloride
CID 53347635
1-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]ethanone
CID 83450578
3-[3-chloro-4-(trifluoromethoxy)phenyl]-2-methyl-5-(trifluoromethyl)imidazo[4,5-b]pyridine
CID 153345637
2-(trifluoromethyl)-3H-benzimidazole-5-carboxylic acid;hydrate
CID 21216041
3-(4-fluorophenyl)-5-methylimidazo[4,5-b]pyridin-2-amine
CID 81138229
6-[4-propan-2-yl-2-(pyridin-4-ylmethyl)imidazolidin-1-yl]-2-(trifluoromethyl)-1H-benzimidazole
CID 91205175
6-isocyanato-2-(trifluoromethyl)-1H-benzimidazole
CID 169354176
2,3,4,5,6-pentamethyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 5102699
4-methyl-N-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]benzenesulfonamide
CID 1119769
6-[2-propan-2-yl-5-(trifluoromethyl)imidazo[4,5-b]pyridin-3-yl]-3H-1,3-benzothiazol-2-one
CID 122654641

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine?
The IUPAC name of 2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine (CID 162615527) is 2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine?
The canonical SMILES for 2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine is Cc1ccc2nc(C)n(-c3ccc4nc(C(F)(F)F)[nH]c4c3)c2n1.
What is the InChIKey of 2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine?
The InChIKey is URLWAYFBFZBWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N5/c1-8-3-5-12-14(20-8)24(9(2)21-12)10-4-6-11-13(7-10)23-15(22-11)16(17,18)19/h3-7H,1-2H3,(H,22,23).
What are the key properties of 2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine?
2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine has a molecular weight of 331.30 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-[2-(trifluoromethyl)-3H-benzimidazol-5-yl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 162615527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).