2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline

C14H11F2N3 — CID 43470869

IUPAC2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2nc3cc(F)c(F)cc3[nH]2)c1
InChIInChI=1S/C14H11F2N3/c1-7-2-3-11(17)8(4-7)14-18-12-5-9(15)10(16)6-13(12)19-14/h2-6H,17H2,1H3,(H,18,19)
InChIKeyGWYOKOVAQPPBHG-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.40
Rot. Bonds1

About 2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline

2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline (PubChem CID 43470869) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline.

Molecular Properties

Compound Name2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
PubChem CID43470869
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
SMILESCc1ccc(N)c(-c2nc3cc(F)c(F)cc3[nH]2)c1
InChIInChI=1S/C14H11F2N3/c1-7-2-3-11(17)8(4-7)14-18-12-5-9(15)10(16)6-13(12)19-14/h2-6H,17H2,1H3,(H,18,19)
InChIKeyGWYOKOVAQPPBHG-UHFFFAOYSA-N
XLogP3.40
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4,5-difluoro-1H-benzimidazol-2-yl)-4-methylaniline
CID 112556617
5,6-dichloro-2-(2-fluoro-5-methylphenyl)-1H-benzimidazole
CID 82003782
4-chloro-2-(5-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 95909583
3-(5,6-difluoro-1H-benzimidazol-2-yl)-4-fluoroaniline
CID 60835368
2-(5-chloro-2-methylphenyl)-5,6-difluoro-1H-benzimidazole
CID 82883776
2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylaniline
CID 65454715
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-fluoroaniline
CID 107793624
2-amino-5-(5,6-difluoro-1H-benzimidazol-2-yl)phenol
CID 54924199
2-chloro-6-(5,6-difluoro-1H-benzimidazol-2-yl)aniline
CID 107049774
5,6-dichloro-2-(2,4-dimethylphenyl)-1H-benzimidazole
CID 78912050
2-(5,6-dimethyl-1H-benzimidazol-2-yl)-4-methoxyaniline
CID 115411342
1-[4-amino-3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-2-sulfanylethanone
CID 19817714

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline?
The IUPAC name of 2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline (CID 43470869) is 2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline.
What is the SMILES notation for 2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline?
The canonical SMILES for 2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline is Cc1ccc(N)c(-c2nc3cc(F)c(F)cc3[nH]2)c1.
What is the InChIKey of 2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline?
The InChIKey is GWYOKOVAQPPBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-7-2-3-11(17)8(4-7)14-18-12-5-9(15)10(16)6-13(12)19-14/h2-6H,17H2,1H3,(H,18,19).
What are the key properties of 2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline?
2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline has a molecular weight of 259.26 g/mol, XLogP of 3.40, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-difluoro-1H-benzimidazol-2-yl)-4-methylaniline is sourced from PubChem (CID 43470869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).