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

C15H19BrFN3 — CID 116738177

IUPAC6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine
SMILESCCC1CCCCC1n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H19BrFN3/c1-2-9-5-3-4-6-13(9)20-14-7-10(16)11(17)8-12(14)19-15(20)18/h7-9,13H,2-6H2,1H3,(H2,18,19)
InChIKeyXDDLRAUXXCSAOD-UHFFFAOYSA-N
MW340.24 g/mol
LogP4.66
Rot. Bonds2

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

6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine (PubChem CID 116738177) has the molecular formula C15H19BrFN3 and a molecular weight of 340.24 g/mol. Its IUPAC name is 6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine
PubChem CID116738177
Molecular FormulaC15H19BrFN3
Molecular Weight340.24 g/mol
Exact Mass339.07
IUPAC Name6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine
SMILESCCC1CCCCC1n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H19BrFN3/c1-2-9-5-3-4-6-13(9)20-14-7-10(16)11(17)8-12(14)19-15(20)18/h7-9,13H,2-6H2,1H3,(H2,18,19)
InChIKeyXDDLRAUXXCSAOD-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

Analyze 6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine
CID 63545324
6-bromo-1-(2-ethylcyclohexyl)benzimidazol-2-amine
CID 65347461
5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66088621
5-bromo-1-cyclooctyl-6-fluorobenzimidazol-2-amine
CID 66086490
5-bromo-1-(3-ethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66085937
5-bromo-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazol-2-amine
CID 66087861
2-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 103592912
6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine
CID 116738302
1-(2-bicyclo[2.2.1]heptanyl)-5-bromo-6-fluorobenzimidazol-2-amine
CID 66088063
6-bromo-1-(1,1-dioxothiolan-3-yl)-5-fluorobenzimidazol-2-amine
CID 116738011
3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-1-methylpiperidine-2,6-dione
CID 116738405
6-bromo-1-[(1-ethylcyclopropyl)methyl]-5-fluorobenzimidazol-2-amine
CID 114101078

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine (CID 116738177) is 6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine is CCC1CCCCC1n1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine?
The InChIKey is XDDLRAUXXCSAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFN3/c1-2-9-5-3-4-6-13(9)20-14-7-10(16)11(17)8-12(14)19-15(20)18/h7-9,13H,2-6H2,1H3,(H2,18,19).
What are the key properties of 6-bromo-1-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine?
6-bromo-1-(2-ethylcyclohexyl)-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-(2-ethylcyclohexyl)-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 116738177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).