1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine

C14H11F2N3 — CID 115552264

IUPAC1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(-c3cc(F)ccc3F)c12
InChIInChI=1S/C14H11F2N3/c1-8-3-2-4-11-13(8)19(14(17)18-11)12-7-9(15)5-6-10(12)16/h2-7H,1H3,(H2,17,18)
InChIKeyRLVIAGPODGRPIE-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.19
Rot. Bonds1

About 1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine

1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine (PubChem CID 115552264) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine
PubChem CID115552264
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine
SMILESCc1cccc2nc(N)n(-c3cc(F)ccc3F)c12
InChIInChI=1S/C14H11F2N3/c1-8-3-2-4-11-13(8)19(14(17)18-11)12-7-9(15)5-6-10(12)16/h2-7H,1H3,(H2,17,18)
InChIKeyRLVIAGPODGRPIE-UHFFFAOYSA-N
XLogP3.19
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552345
1-(4-fluoro-2-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552389
1-(4-bromo-2-fluorophenyl)-7-methylbenzimidazol-2-amine
CID 115552268
1-(2,5-difluorophenyl)-5-fluoro-6-methylbenzimidazol-2-amine
CID 103592718
7-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43662097
1-(2-bromo-4-chlorophenyl)-7-methylbenzimidazol-2-amine
CID 115552616
7-methyl-1-(2,4,5-trichlorophenyl)benzimidazol-2-amine
CID 115552270
6,7-difluoro-1-(2-fluoro-5-methylphenyl)benzimidazol-2-amine
CID 62531539
7-methyl-1-[2-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 115552254
5-bromo-1-(2,5-difluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66087851
1-(3-methoxyphenyl)-7-methylbenzimidazol-2-amine
CID 115552236
1-(3-bromo-4-methylphenyl)-7-methylbenzimidazol-2-amine
CID 115552506

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine?
The IUPAC name of 1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine (CID 115552264) is 1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine?
The canonical SMILES for 1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine is Cc1cccc2nc(N)n(-c3cc(F)ccc3F)c12.
What is the InChIKey of 1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine?
The InChIKey is RLVIAGPODGRPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-8-3-2-4-11-13(8)19(14(17)18-11)12-7-9(15)5-6-10(12)16/h2-7H,1H3,(H2,17,18).
What are the key properties of 1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine?
1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine has a molecular weight of 259.26 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-7-methylbenzimidazol-2-amine is sourced from PubChem (CID 115552264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).