6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine

C15H17BrFN3 — CID 116738400

IUPAC6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)c(Br)cc2n1CC(C1CC1)C1CC1
InChIInChI=1S/C15H17BrFN3/c16-11-5-14-13(6-12(11)17)19-15(18)20(14)7-10(8-1-2-8)9-3-4-9/h5-6,8-10H,1-4,7H2,(H2,18,19)
InChIKeyLSFKQOCZNJWNEO-UHFFFAOYSA-N
MW338.22 g/mol
LogP3.96
Rot. Bonds4

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

6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine (PubChem CID 116738400) has the molecular formula C15H17BrFN3 and a molecular weight of 338.22 g/mol. Its IUPAC name is 6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine
PubChem CID116738400
Molecular FormulaC15H17BrFN3
Molecular Weight338.22 g/mol
Exact Mass337.06
IUPAC Name6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(F)c(Br)cc2n1CC(C1CC1)C1CC1
InChIInChI=1S/C15H17BrFN3/c16-11-5-14-13(6-12(11)17)19-15(18)20(14)7-10(8-1-2-8)9-3-4-9/h5-6,8-10H,1-4,7H2,(H2,18,19)
InChIKeyLSFKQOCZNJWNEO-UHFFFAOYSA-N
XLogP3.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.22
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine
CID 66077162
6-bromo-5-fluoro-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
CID 116738265
3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 116738415
6-bromo-5-fluoro-1-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzimidazol-2-amine
CID 116738278
6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
CID 116738236
6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine
CID 116737993
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 116738123
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
6-bromo-1-[(1-ethylcyclopropyl)methyl]-5-fluorobenzimidazol-2-amine
CID 114101078
5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine
CID 113484209
5-bromo-6-fluoro-1-(thian-2-ylmethyl)benzimidazol-2-amine
CID 80612265
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine (CID 116738400) is 6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine is Nc1nc2cc(F)c(Br)cc2n1CC(C1CC1)C1CC1.
What is the InChIKey of 6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is LSFKQOCZNJWNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3/c16-11-5-14-13(6-12(11)17)19-15(18)20(14)7-10(8-1-2-8)9-3-4-9/h5-6,8-10H,1-4,7H2,(H2,18,19).
What are the key properties of 6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine?
6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine has a molecular weight of 338.22 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(2,2-dicyclopropylethyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 116738400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).