6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine

C12H16BrFN4 — CID 116738307

IUPAC6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine
SMILESCCN(C)CCn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C12H16BrFN4/c1-3-17(2)4-5-18-11-6-8(13)9(14)7-10(11)16-12(18)15/h6-7H,3-5H2,1-2H3,(H2,15,16)
InChIKeyBUVZVOIKUFLFFU-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.47
Rot. Bonds4

About 6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine

6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine (PubChem CID 116738307) has the molecular formula C12H16BrFN4 and a molecular weight of 315.19 g/mol. Its IUPAC name is 6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine
PubChem CID116738307
Molecular FormulaC12H16BrFN4
Molecular Weight315.19 g/mol
Exact Mass314.05
IUPAC Name6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine
SMILESCCN(C)CCn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C12H16BrFN4/c1-3-17(2)4-5-18-11-6-8(13)9(14)7-10(11)16-12(18)15/h6-7H,3-5H2,1-2H3,(H2,15,16)
InChIKeyBUVZVOIKUFLFFU-UHFFFAOYSA-N
XLogP2.47
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-5-fluoro-1-octylbenzimidazol-2-amine
CID 116738456
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
6-bromo-5-fluoro-1-(4-methylsulfanylbutyl)benzimidazol-2-amine
CID 116738528
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 116738123
6-bromo-1-(2,2-dimethylbutyl)-5-fluorobenzimidazol-2-amine
CID 103462895
6-bromo-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-fluorobenzimidazol-2-amine
CID 116738001
6-bromo-5-fluoro-1-(2-piperidin-1-ylethyl)benzimidazol-2-amine
CID 116738236
3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 116738268
6-bromo-1-[(1-ethylcyclopropyl)methyl]-5-fluorobenzimidazol-2-amine
CID 114101078
6-bromo-5-fluoro-1-(2-methylbutan-2-yl)benzimidazol-2-amine
CID 116738073

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine?
The IUPAC name of 6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine (CID 116738307) is 6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine.
What is the SMILES notation for 6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine?
The canonical SMILES for 6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine is CCN(C)CCn1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine?
The InChIKey is BUVZVOIKUFLFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN4/c1-3-17(2)4-5-18-11-6-8(13)9(14)7-10(11)16-12(18)15/h6-7H,3-5H2,1-2H3,(H2,15,16).
What are the key properties of 6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine?
6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine has a molecular weight of 315.19 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzimidazol-2-amine is sourced from PubChem (CID 116738307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).