6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine

C14H19BrFN3 — CID 116738450

IUPAC6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
SMILESCC(C)CCCCn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C14H19BrFN3/c1-9(2)5-3-4-6-19-13-7-10(15)11(16)8-12(13)18-14(19)17/h7-9H,3-6H2,1-2H3,(H2,17,18)
InChIKeyWTNQZVZYGJTBGS-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.35
Rot. Bonds5

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

6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine (PubChem CID 116738450) has the molecular formula C14H19BrFN3 and a molecular weight of 328.23 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
PubChem CID116738450
Molecular FormulaC14H19BrFN3
Molecular Weight328.23 g/mol
Exact Mass327.07
IUPAC Name6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
SMILESCC(C)CCCCn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C14H19BrFN3/c1-9(2)5-3-4-6-19-13-7-10(15)11(16)8-12(13)18-14(19)17/h7-9H,3-6H2,1-2H3,(H2,17,18)
InChIKeyWTNQZVZYGJTBGS-UHFFFAOYSA-N
XLogP4.35
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816923
6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456
6-bromo-5-fluoro-1-(4-methylsulfanylbutyl)benzimidazol-2-amine
CID 116738528
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
5-bromo-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816938
3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 116738268
5,6-dimethoxy-1-(5-methylhexyl)benzimidazol-2-amine
CID 83003477
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
6-fluoro-5-iodo-1-(3-methylbutyl)benzimidazol-2-amine
CID 66102345
6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine
CID 116738307
6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
CID 116738236
ethyl 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)butanoate
CID 66088450

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine (CID 116738450) is 6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine is CC(C)CCCCn1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine?
The InChIKey is WTNQZVZYGJTBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3/c1-9(2)5-3-4-6-19-13-7-10(15)11(16)8-12(13)18-14(19)17/h7-9H,3-6H2,1-2H3,(H2,17,18).
What are the key properties of 6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine?
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine has a molecular weight of 328.23 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine is sourced from PubChem (CID 116738450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).