5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine

C15H19BrFN3 — CID 66085937

IUPAC5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine
SMILESCCC1CCCC(n2c(N)nc3cc(Br)c(F)cc32)C1
InChIInChI=1S/C15H19BrFN3/c1-2-9-4-3-5-10(6-9)20-14-8-12(17)11(16)7-13(14)19-15(20)18/h7-10H,2-6H2,1H3,(H2,18,19)
InChIKeyHMAKYOSFFWZVIA-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.66
Rot. Bonds2

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

5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine (PubChem CID 66085937) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is 5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine
PubChem CID66085937
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC Name5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine
SMILESCCC1CCCC(n2c(N)nc3cc(Br)c(F)cc32)C1
InChIInChI=1S/C15H19BrFN3/c1-2-9-4-3-5-10(6-9)20-14-8-12(17)11(16)7-13(14)19-15(20)18/h7-10H,2-6H2,1H3,(H2,18,19)
InChIKeyHMAKYOSFFWZVIA-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine (CID 66085937) is 5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine is CCC1CCCC(n2c(N)nc3cc(Br)c(F)cc32)C1.
What is the InChIKey of 5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is HMAKYOSFFWZVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-2-9-4-3-5-10(6-9)20-14-8-12(17)11(16)7-13(14)19-15(20)18/h7-10H,2-6H2,1H3,(H2,18,19).
What are the key properties of 5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine?
5-bromo-1-(3-ethylcyclohexyl)-6-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 5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66085937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).