6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine

C15H19BrFN3 — CID 116738302

IUPAC6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine
SMILESCC(C1CCCCC1)n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H19BrFN3/c1-9(10-5-3-2-4-6-10)20-14-7-11(16)12(17)8-13(14)19-15(20)18/h7-10H,2-6H2,1H3,(H2,18,19)
InChIKeyQZKHBSWQQKRSAT-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.66
Rot. Bonds2

About 6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine

6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine (PubChem CID 116738302) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is 6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine
PubChem CID116738302
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC Name6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine
SMILESCC(C1CCCCC1)n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H19BrFN3/c1-9(10-5-3-2-4-6-10)20-14-7-11(16)12(17)8-13(14)19-15(20)18/h7-10H,2-6H2,1H3,(H2,18,19)
InChIKeyQZKHBSWQQKRSAT-UHFFFAOYSA-N
XLogP4.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.24
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole
CID 116739029
6-bromo-2-(chloromethyl)-1-(1-cyclobutylethyl)-5-fluorobenzimidazole
CID 116739419
5-bromo-2-(1-chloroethyl)-1-(1-cyclopentylethyl)-6-fluorobenzimidazole
CID 66087724
5-chloro-1-(1-cyclohexylethyl)benzimidazol-2-amine
CID 63546409
5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine
CID 66087095
5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole
CID 66088892
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide
CID 116738488
6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 116738133
6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 116738290
6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine
CID 116738177
5-bromo-1-cyclooctyl-6-fluorobenzimidazol-2-amine
CID 66086490
6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine
CID 116738400

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine (CID 116738302) is 6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine is CC(C1CCCCC1)n1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is QZKHBSWQQKRSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-9(10-5-3-2-4-6-10)20-14-7-11(16)12(17)8-13(14)19-15(20)18/h7-10H,2-6H2,1H3,(H2,18,19).
What are the key properties of 6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine?
6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 340.24 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 116738302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).