1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine

C13H8F3N3 — CID 43661787

IUPAC1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H8F3N3/c14-7-1-4-12-11(5-7)18-13(17)19(12)8-2-3-9(15)10(16)6-8/h1-6H,(H2,17,18)
InChIKeyXBMIUHZPUCWXKQ-UHFFFAOYSA-N
MW263.22 g/mol
LogP3.03
Rot. Bonds1

About 1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine

1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine (PubChem CID 43661787) has the molecular formula C13H8F3N3 and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine
PubChem CID43661787
Molecular FormulaC13H8F3N3
Molecular Weight263.22 g/mol
Exact Mass263.07
IUPAC Name1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)ccc2n1-c1ccc(F)c(F)c1
InChIInChI=1S/C13H8F3N3/c14-7-1-4-12-11(5-7)18-13(17)19(12)8-2-3-9(15)10(16)6-8/h1-6H,(H2,17,18)
InChIKeyXBMIUHZPUCWXKQ-UHFFFAOYSA-N
XLogP3.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-difluorophenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66100981
1-(3,4-dimethoxyphenyl)-5-fluorobenzimidazol-2-amine
CID 43661963
1-(4-chloro-2-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107637336
5-chloro-1-(3-chloro-4-methylphenyl)benzimidazol-2-amine
CID 43659506
5-(2-amino-5-iodobenzimidazol-1-yl)-2-fluorobenzonitrile
CID 66081402
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79289903
5-fluoro-1-(2-iodophenyl)benzimidazol-2-amine
CID 43661747
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
5-fluoro-1-(1-methylpyrazol-3-yl)benzimidazol-2-amine
CID 79779520
5-chloro-1-(5-chloro-2-fluorophenyl)benzimidazol-2-amine
CID 43659570
1-(2-chloro-4-iodophenyl)-5-fluorobenzimidazol-2-amine
CID 107607210

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine (CID 43661787) is 1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine is Nc1nc2cc(F)ccc2n1-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is XBMIUHZPUCWXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3/c14-7-1-4-12-11(5-7)18-13(17)19(12)8-2-3-9(15)10(16)6-8/h1-6H,(H2,17,18).
What are the key properties of 1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine?
1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 263.22 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 43661787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).