5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine

C13H8BrF2N3 — CID 43661750

IUPAC5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1-c1c(F)cccc1F
InChIInChI=1S/C13H8BrF2N3/c14-7-4-5-11-10(6-7)18-13(17)19(11)12-8(15)2-1-3-9(12)16/h1-6H,(H2,17,18)
InChIKeyOSJUXPJFTMOIFP-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.65
Rot. Bonds1

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

5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine (PubChem CID 43661750) has the molecular formula C13H8BrF2N3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
PubChem CID43661750
Molecular FormulaC13H8BrF2N3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)ccc2n1-c1c(F)cccc1F
InChIInChI=1S/C13H8BrF2N3/c14-7-4-5-11-10(6-7)18-13(17)19(11)12-8(15)2-1-3-9(12)16/h1-6H,(H2,17,18)
InChIKeyOSJUXPJFTMOIFP-UHFFFAOYSA-N
XLogP3.65
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-(5-bromo-2,4-difluorophenyl)benzimidazol-2-amine
CID 102854236
5-bromo-1-(4-bromophenyl)benzimidazol-2-amine
CID 43661850
5-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazol-2-amine
CID 107593051
5-bromo-1-(2,4-dibromophenyl)benzimidazol-2-amine
CID 63546046
5-bromo-1-(4-fluoro-3-methoxyphenyl)benzimidazol-2-amine
CID 114840220
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole
CID 107601606
5-bromo-1-(4-bromo-2-chlorophenyl)benzimidazol-2-amine
CID 43662042
5-chloro-1-(2,6-dibromophenyl)benzimidazol-2-amine
CID 107601326
6-bromo-1-(2,6-dibromophenyl)-5-fluorobenzimidazol-2-amine
CID 107601324
5-bromo-1-[4-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 43661954
5-bromo-1-(3-propan-2-ylphenyl)benzimidazol-2-amine
CID 43661906
5-bromo-1-(3,4-dichlorophenyl)benzimidazol-2-amine
CID 43661710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine (CID 43661750) is 5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine is Nc1nc2cc(Br)ccc2n1-c1c(F)cccc1F.
What is the InChIKey of 5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine?
The InChIKey is OSJUXPJFTMOIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3/c14-7-4-5-11-10(6-7)18-13(17)19(11)12-8(15)2-1-3-9(12)16/h1-6H,(H2,17,18).
What are the key properties of 5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine?
5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine has a molecular weight of 324.13 g/mol, XLogP of 3.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine is sourced from PubChem (CID 43661750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).