6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine

C14H13BrFN3O — CID 116738194

IUPAC6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine
SMILESCc1ccc(C(C)n2c(N)nc3cc(F)c(Br)cc32)o1
InChIInChI=1S/C14H13BrFN3O/c1-7-3-4-13(20-7)8(2)19-12-5-9(15)10(16)6-11(12)18-14(19)17/h3-6,8H,1-2H3,(H2,17,18)
InChIKeyKTIFOFPGFFDRNM-UHFFFAOYSA-N
MW338.18 g/mol
LogP4.03
Rot. Bonds2

About 6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine

6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine (PubChem CID 116738194) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine
PubChem CID116738194
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC Name6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine
SMILESCc1ccc(C(C)n2c(N)nc3cc(F)c(Br)cc32)o1
InChIInChI=1S/C14H13BrFN3O/c1-7-3-4-13(20-7)8(2)19-12-5-9(15)10(16)6-11(12)18-14(19)17/h3-6,8H,1-2H3,(H2,17,18)
InChIKeyKTIFOFPGFFDRNM-UHFFFAOYSA-N
XLogP4.03
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 116738133
6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 116738376
5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66087858
6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 116738290
5-bromo-6-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 66088258
6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine
CID 116738302
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide
CID 116738488
5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 66086898
5-fluoro-1-[1-(3-fluorophenyl)ethyl]-6-methylbenzimidazol-2-amine
CID 103592825
5-fluoro-6-methyl-1-(1-thiophen-2-ylethyl)benzimidazol-2-amine
CID 103592746
5-bromo-1-(1-cyclopropylpropan-2-yl)-6-fluorobenzimidazol-2-amine
CID 66087095
6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine
CID 116738105

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine (CID 116738194) is 6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine is Cc1ccc(C(C)n2c(N)nc3cc(F)c(Br)cc32)o1.
What is the InChIKey of 6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine?
The InChIKey is KTIFOFPGFFDRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-7-3-4-13(20-7)8(2)19-12-5-9(15)10(16)6-11(12)18-14(19)17/h3-6,8H,1-2H3,(H2,17,18).
What are the key properties of 6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine?
6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine has a molecular weight of 338.18 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 116738194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).