N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

C15H11F2N5 — CID 82563568

IUPACN-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc1nc(Nc3ccc(F)c(F)c3)[nH]n12
InChIInChI=1S/C15H11F2N5/c1-8-2-5-13-12(6-8)19-15-20-14(21-22(13)15)18-9-3-4-10(16)11(17)7-9/h2-7H,1H3,(H2,18,19,20,21)
InChIKeyYUDGBKPTDDVTJA-UHFFFAOYSA-N
MW299.28 g/mol
LogP3.54
Rot. Bonds2

About N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (PubChem CID 82563568) has the molecular formula C15H11F2N5 and a molecular weight of 299.28 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
PubChem CID82563568
Molecular FormulaC15H11F2N5
Molecular Weight299.28 g/mol
Exact Mass299.10
IUPAC NameN-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESCc1ccc2c(c1)nc1nc(Nc3ccc(F)c(F)c3)[nH]n12
InChIInChI=1S/C15H11F2N5/c1-8-2-5-13-12(6-8)19-15-20-14(21-22(13)15)18-9-3-4-10(16)11(17)7-9/h2-7H,1H3,(H2,18,19,20,21)
InChIKeyYUDGBKPTDDVTJA-UHFFFAOYSA-N
XLogP3.54
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82563585
6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563604
6-chloro-N-[4-(trifluoromethyl)phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563719
ethyl 2-(3-chloro-4-fluoroanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564034
N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563731
6-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563727
6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564203
N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564280
ethyl 2-[(6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82563616
2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
CID 82563979
N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82564153
ethyl 2-(4-acetamidoanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564040

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The IUPAC name of N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (CID 82563568) is N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.
What is the SMILES notation for N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The canonical SMILES for N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is Cc1ccc2c(c1)nc1nc(Nc3ccc(F)c(F)c3)[nH]n12.
What is the InChIKey of N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The InChIKey is YUDGBKPTDDVTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N5/c1-8-2-5-13-12(6-8)19-15-20-14(21-22(13)15)18-9-3-4-10(16)11(17)7-9/h2-7H,1H3,(H2,18,19,20,21).
What are the key properties of N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine has a molecular weight of 299.28 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is sourced from PubChem (CID 82563568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).