5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine

C15H19BrFN3 — CID 66088621

IUPAC5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
SMILESCC1CCCC(n2c(N)nc3cc(Br)c(F)cc32)C1C
InChIInChI=1S/C15H19BrFN3/c1-8-4-3-5-13(9(8)2)20-14-7-11(17)10(16)6-12(14)19-15(20)18/h6-9,13H,3-5H2,1-2H3,(H2,18,19)
InChIKeyYHBHUIQHKOYAHH-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.52
Rot. Bonds1

About 5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine

5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine (PubChem CID 66088621) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is 5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
PubChem CID66088621
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC Name5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
SMILESCC1CCCC(n2c(N)nc3cc(Br)c(F)cc32)C1C
InChIInChI=1S/C15H19BrFN3/c1-8-4-3-5-13(9(8)2)20-14-7-11(17)10(16)6-12(14)19-15(20)18/h6-9,13H,3-5H2,1-2H3,(H2,18,19)
InChIKeyYHBHUIQHKOYAHH-UHFFFAOYSA-N
XLogP4.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66078877
1-(2,3-dimethylcyclohexyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101762
1-(2,3-dimethylcyclohexyl)-5-fluorobenzimidazol-2-amine
CID 43661615
1-(2,3-dimethylcyclopentyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101388
5-bromo-1-cyclooctyl-6-fluorobenzimidazol-2-amine
CID 66086490
5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine
CID 66087861
1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine
CID 66088063
5-chloro-6-fluoro-1-(2-methylcyclohexyl)benzimidazol-2-amine
CID 66079071
6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine
CID 116738177
5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 66087515
5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66085937
5-bromo-6-fluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-2-amine
CID 80720509

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine (CID 66088621) is 5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine is CC1CCCC(n2c(N)nc3cc(Br)c(F)cc32)C1C.
What is the InChIKey of 5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is YHBHUIQHKOYAHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-8-4-3-5-13(9(8)2)20-14-7-11(17)10(16)6-12(14)19-15(20)18/h6-9,13H,3-5H2,1-2H3,(H2,18,19).
What are the key properties of 5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine?
5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 340.24 g/mol, XLogP of 4.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66088621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).