3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate

C13H13BF4N3- — CID 174642432

IUPAC3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate
SMILESCN1CN(c2ccccc2)c2ccncc21.F[B-](F)(F)F
InChIInChI=1S/C13H13N3.BF4/c1-15-10-16(11-5-3-2-4-6-11)12-7-8-14-9-13(12)15;2-1(3,4)5/h2-9H,10H2,1H3;/q;-1
InChIKeyCAWNGHPRGIDMQA-UHFFFAOYSA-N
MW298.07 g/mol
LogP3.93
Rot. Bonds1

About 3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate

3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate (PubChem CID 174642432) has the molecular formula C13H13BF4N3- and a molecular weight of 298.07 g/mol. Its IUPAC name is 3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate.

Molecular Properties

Compound Name3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate
PubChem CID174642432
Molecular FormulaC13H13BF4N3-
Molecular Weight298.07 g/mol
Exact Mass298.11
IUPAC Name3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate
SMILESCN1CN(c2ccccc2)c2ccncc21.F[B-](F)(F)F
InChIInChI=1S/C13H13N3.BF4/c1-15-10-16(11-5-3-2-4-6-11)12-7-8-14-9-13(12)15;2-1(3,4)5/h2-9H,10H2,1H3;/q;-1
InChIKeyCAWNGHPRGIDMQA-UHFFFAOYSA-N
XLogP3.93
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.07
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

7-phenyl-9-pyridin-4-yl-8H-purine
CID 58556344
1-methyl-3-[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]-2H-benzimidazole;osmium
CID 157121404
1-methyl-3,5-diphenyl-2H-imidazo[4,5-b]pyridine
CID 70665390
3-methyl-1-pyridin-3-yl-2H-imidazo[4,5-b]pyridine
CID 143141740
7-phenyl-9-pyridin-3-yl-8H-purine
CID 58556336
1,5,5,6,6,7,7,8,8-nonamethyl-3-phenyl-2H-benzo[f]benzimidazole
CID 140790065
1,1',3,3'-tetraphenyl-2,2'-spirobi[[1,3,2]diazasilolo[4,5-c]pyridine]
CID 58249940
1-[3-[3-[3-[4-[3-[3-[3-(5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazol-1-yl)phenoxy]phenyl]-2H-benzimidazol-1-yl]phenyl]-2H-benzimidazol-1-yl]phenoxy]phenyl]-5,6-dimethyl-3-pyridin-4-yl-2H-benzimidazole
CID 166007130
3-methyl-1-phenyl-2H-benzimidazole-4-carbonitrile
CID 153430458
[3-(3-methyl-2H-benzimidazol-1-yl)phenyl]methyl-diphenylphosphane
CID 58978612
8-[3-(3-methyl-2H-benzimidazol-1-yl)phenoxy]-5,5-diphenyl-[1]benzosilolo[3,2-b]pyridine
CID 162272328
1-[4-(1,1,2,2,3,3,3-heptafluoropropyl)phenyl]-3-methyl-2H-benzimidazole
CID 140841791

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate?
The IUPAC name of 3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate (CID 174642432) is 3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate.
What is the SMILES notation for 3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate?
The canonical SMILES for 3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate is CN1CN(c2ccccc2)c2ccncc21.F[B-](F)(F)F.
What is the InChIKey of 3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate?
The InChIKey is CAWNGHPRGIDMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3.BF4/c1-15-10-16(11-5-3-2-4-6-11)12-7-8-14-9-13(12)15;2-1(3,4)5/h2-9H,10H2,1H3;/q;-1.
What are the key properties of 3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate?
3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate has a molecular weight of 298.07 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-phenyl-2H-imidazo[4,5-c]pyridine tetrafluoroborate is sourced from PubChem (CID 174642432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).