5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine

C14H19BrFN3 — CID 66086898

IUPAC5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
SMILESCC(C)CCC(C)n1c(N)nc2cc(Br)c(F)cc21
InChIInChI=1S/C14H19BrFN3/c1-8(2)4-5-9(3)19-13-7-11(16)10(15)6-12(13)18-14(19)17/h6-9H,4-5H2,1-3H3,(H2,17,18)
InChIKeyWKNQBZBEIWYECK-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.52
Rot. Bonds4

About 5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine

5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine (PubChem CID 66086898) has the molecular formula C14H19BrFN3 and a molecular weight of 328.23 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
PubChem CID66086898
Molecular FormulaC14H19BrFN3
Molecular Weight328.23 g/mol
Exact Mass327.07
IUPAC Name5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
SMILESCC(C)CCC(C)n1c(N)nc2cc(Br)c(F)cc21
InChIInChI=1S/C14H19BrFN3/c1-8(2)4-5-9(3)19-13-7-11(16)10(15)6-12(13)18-14(19)17/h6-9H,4-5H2,1-3H3,(H2,17,18)
InChIKeyWKNQBZBEIWYECK-UHFFFAOYSA-N
XLogP4.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 116738290
5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine
CID 66087095
5-fluoro-6-methoxy-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 63924917
6-chloro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 113316215
5-chloro-6-fluoro-1-(4-methylpentan-2-yl)benzimidazol-2-amine
CID 66076948
5-bromo-2-(1-chloroethyl)-6-fluoro-1-pentan-2-ylbenzimidazole
CID 66086519
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66087858
5-bromo-6-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 66088258
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
5-bromo-6-fluoro-1-(2-methylsulfinylpropyl)benzimidazol-2-amine
CID 113484209
5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
CID 66088261

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine (CID 66086898) is 5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine is CC(C)CCC(C)n1c(N)nc2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine?
The InChIKey is WKNQBZBEIWYECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3/c1-8(2)4-5-9(3)19-13-7-11(16)10(15)6-12(13)18-14(19)17/h6-9H,4-5H2,1-3H3,(H2,17,18).
What are the key properties of 5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine?
5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine has a molecular weight of 328.23 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine is sourced from PubChem (CID 66086898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).