1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine

C14H15BrFN3 — CID 66088063

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1C1CC2CCC1C2
InChIInChI=1S/C14H15BrFN3/c15-9-5-11-13(6-10(9)16)19(14(17)18-11)12-4-7-1-2-8(12)3-7/h5-8,12H,1-4H2,(H2,17,18)
InChIKeyQLQAWJAJVZFVSK-UHFFFAOYSA-N
MW324.20 g/mol
LogP3.88
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine

1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine (PubChem CID 66088063) has the molecular formula C14H15BrFN3 and a molecular weight of 324.20 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine
PubChem CID66088063
Molecular FormulaC14H15BrFN3
Molecular Weight324.20 g/mol
Exact Mass323.04
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1C1CC2CCC1C2
InChIInChI=1S/C14H15BrFN3/c15-9-5-11-13(6-10(9)16)19(14(17)18-11)12-4-7-1-2-8(12)3-7/h5-8,12H,1-4H2,(H2,17,18)
InChIKeyQLQAWJAJVZFVSK-UHFFFAOYSA-N
XLogP3.88
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine with MolForge

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Related Compounds

1-(2-bicyclo[2.2.1]heptanyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 66101194
5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66088621
5-bromo-6-fluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazol-2-amine
CID 80720509
5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine
CID 66087861
5-bromo-1-cyclooctyl-6-fluorobenzimidazol-2-amine
CID 66086490
1-(2-bicyclo[2.2.1]heptanyl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502118
6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine
CID 116738177
5-bromo-6-fluoro-1-(1-methylpyrrolidin-3-yl)benzimidazol-2-amine
CID 66086694
5-bromo-1-(2,3-dihydro-1H-inden-2-yl)-6-fluorobenzimidazol-2-amine
CID 107853135
5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66085937
5-bromo-6-fluoro-1-(thiolan-2-ylmethyl)benzimidazol-2-amine
CID 80585657
4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)pyrrolidin-2-one
CID 114155594

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine (CID 66088063) is 1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine is Nc1nc2cc(Br)c(F)cc2n1C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine?
The InChIKey is QLQAWJAJVZFVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN3/c15-9-5-11-13(6-10(9)16)19(14(17)18-11)12-4-7-1-2-8(12)3-7/h5-8,12H,1-4H2,(H2,17,18).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine?
1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine has a molecular weight of 324.20 g/mol, XLogP of 3.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66088063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).