1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine

C13H7BrF3N3 — CID 115508680

IUPAC1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1-c1cc(Br)ccc1F
InChIInChI=1S/C13H7BrF3N3/c14-6-1-2-8(16)10(3-6)20-11-5-7(15)4-9(17)12(11)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyNIEOZKRFVOITCQ-UHFFFAOYSA-N
MW342.12 g/mol
LogP3.79
Rot. Bonds1

About 1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine

1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine (PubChem CID 115508680) has the molecular formula C13H7BrF3N3 and a molecular weight of 342.12 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine
PubChem CID115508680
Molecular FormulaC13H7BrF3N3
Molecular Weight342.12 g/mol
Exact Mass340.98
IUPAC Name1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1-c1cc(Br)ccc1F
InChIInChI=1S/C13H7BrF3N3/c14-6-1-2-8(16)10(3-6)20-11-5-7(15)4-9(17)12(11)19-13(20)18/h1-5H,(H2,18,19)
InChIKeyNIEOZKRFVOITCQ-UHFFFAOYSA-N
XLogP3.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508690
1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107613935
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile
CID 107799605
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508622
1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107637379
4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791691
1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508632
1-(3,5-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508643
5-bromo-1-(2,5-difluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66087851
2-amino-3-(5-bromo-2-fluorophenyl)benzimidazole-5-carbonitrile
CID 104714844
5-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854236

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine (CID 115508680) is 1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine is Nc1nc2c(F)cc(F)cc2n1-c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine?
The InChIKey is NIEOZKRFVOITCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF3N3/c14-6-1-2-8(16)10(3-6)20-11-5-7(15)4-9(17)12(11)19-13(20)18/h1-5H,(H2,18,19).
What are the key properties of 1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine?
1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine has a molecular weight of 342.12 g/mol, XLogP of 3.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine is sourced from PubChem (CID 115508680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).