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

C14H13BrFN3S — CID 66087858

IUPAC5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
SMILESCc1ccc(C(C)n2c(N)nc3cc(Br)c(F)cc32)s1
InChIInChI=1S/C14H13BrFN3S/c1-7-3-4-13(20-7)8(2)19-12-6-10(16)9(15)5-11(12)18-14(19)17/h3-6,8H,1-2H3,(H2,17,18)
InChIKeySDPBPCATBLTCNQ-UHFFFAOYSA-N
MW354.25 g/mol
LogP4.50
Rot. Bonds2

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

5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine (PubChem CID 66087858) has the molecular formula C14H13BrFN3S and a molecular weight of 354.25 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
PubChem CID66087858
Molecular FormulaC14H13BrFN3S
Molecular Weight354.25 g/mol
Exact Mass353.00
IUPAC Name5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
SMILESCc1ccc(C(C)n2c(N)nc3cc(Br)c(F)cc32)s1
InChIInChI=1S/C14H13BrFN3S/c1-7-3-4-13(20-7)8(2)19-12-6-10(16)9(15)5-11(12)18-14(19)17/h3-6,8H,1-2H3,(H2,17,18)
InChIKeySDPBPCATBLTCNQ-UHFFFAOYSA-N
XLogP4.50
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.25
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66076960
5-bromo-6-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 66088258
6-bromo-5-fluoro-1-[1-(5-methylfuran-2-yl)ethyl]benzimidazol-2-amine
CID 116738194
6-bromo-5-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 116738376
5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 66086898
6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 116738133
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
1-[5-amino-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-yl]ethanol
CID 62595651
6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 116738290
4-bromo-5-fluoro-2-N-[1-(5-methylthiophen-2-yl)ethyl]benzene-1,2-diamine
CID 116735659
6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine
CID 116738302

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine (CID 66087858) is 5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine is Cc1ccc(C(C)n2c(N)nc3cc(Br)c(F)cc32)s1.
What is the InChIKey of 5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine?
The InChIKey is SDPBPCATBLTCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3S/c1-7-3-4-13(20-7)8(2)19-12-6-10(16)9(15)5-11(12)18-14(19)17/h3-6,8H,1-2H3,(H2,17,18).
What are the key properties of 5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine?
5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine has a molecular weight of 354.25 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine is sourced from PubChem (CID 66087858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).