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

C13H6BrF4N3 — CID 107613935

IUPAC1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1-c1cc(F)c(Br)cc1F
InChIInChI=1S/C13H6BrF4N3/c14-6-3-8(17)10(4-7(6)16)21-11-2-5(15)1-9(18)12(11)20-13(21)19/h1-4H,(H2,19,20)
InChIKeyJIHJEOQKGHUIJZ-UHFFFAOYSA-N
MW360.11 g/mol
LogP3.93
Rot. Bonds1

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

1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine (PubChem CID 107613935) has the molecular formula C13H6BrF4N3 and a molecular weight of 360.11 g/mol. Its IUPAC name is 1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine
PubChem CID107613935
Molecular FormulaC13H6BrF4N3
Molecular Weight360.11 g/mol
Exact Mass358.97
IUPAC Name1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine
SMILESNc1nc2c(F)cc(F)cc2n1-c1cc(F)c(Br)cc1F
InChIInChI=1S/C13H6BrF4N3/c14-6-3-8(17)10(4-7(6)16)21-11-2-5(15)1-9(18)12(11)20-13(21)19/h1-4H,(H2,19,20)
InChIKeyJIHJEOQKGHUIJZ-UHFFFAOYSA-N
XLogP3.93
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.11
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508680
1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508690
4,6-difluoro-1-(2,4,6-trifluorophenyl)benzimidazol-2-amine
CID 115508935
5-bromo-6-fluoro-1-(2,4,5-trifluorophenyl)benzimidazol-2-amine
CID 66086895
2-(2-amino-4,6-difluorobenzimidazol-1-yl)-4-bromobenzonitrile
CID 107799605
4-(2-amino-4,6-difluorobenzimidazol-1-yl)-3-bromobenzonitrile
CID 107791691
1-(2-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508622
1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508632
1-(4-chloro-2-iodophenyl)-4,6-difluorobenzimidazol-2-amine
CID 107637379
1-(3,5-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508643
5-bromo-1-(2,5-difluorophenyl)-6-fluorobenzimidazol-2-amine
CID 66087851
6-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854258

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine?
The IUPAC name of 1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine (CID 107613935) is 1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine is Nc1nc2c(F)cc(F)cc2n1-c1cc(F)c(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine?
The InChIKey is JIHJEOQKGHUIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrF4N3/c14-6-3-8(17)10(4-7(6)16)21-11-2-5(15)1-9(18)12(11)20-13(21)19/h1-4H,(H2,19,20).
What are the key properties of 1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine?
1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine has a molecular weight of 360.11 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,5-difluorophenyl)-4,6-difluorobenzimidazol-2-amine is sourced from PubChem (CID 107613935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).