1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine

C15H13BrFN3 — CID 81288933

IUPAC1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine
SMILESCCc1cc(Br)ccc1-n1c(N)nc2c(F)cccc21
InChIInChI=1S/C15H13BrFN3/c1-2-9-8-10(16)6-7-12(9)20-13-5-3-4-11(17)14(13)19-15(20)18/h3-8H,2H2,1H3,(H2,18,19)
InChIKeyHNVCTSCAJPUOBO-UHFFFAOYSA-N
MW334.19 g/mol
LogP4.07
Rot. Bonds2

About 1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine

1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine (PubChem CID 81288933) has the molecular formula C15H13BrFN3 and a molecular weight of 334.19 g/mol. Its IUPAC name is 1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine
PubChem CID81288933
Molecular FormulaC15H13BrFN3
Molecular Weight334.19 g/mol
Exact Mass333.03
IUPAC Name1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine
SMILESCCc1cc(Br)ccc1-n1c(N)nc2c(F)cccc21
InChIInChI=1S/C15H13BrFN3/c1-2-9-8-10(16)6-7-12(9)20-13-5-3-4-11(17)14(13)19-15(20)18/h3-8H,2H2,1H3,(H2,18,19)
InChIKeyHNVCTSCAJPUOBO-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.19
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-2-ethylphenyl)-6-fluoro-5-iodobenzimidazol-2-amine
CID 81287131
1-(2-bromo-5-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 81275061
1-(3-ethyl-1-methylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
CID 107463913
1-(2,3-difluorophenyl)-4-fluorobenzimidazol-2-amine
CID 61075406
1-(2-chlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60789713
1-(1,3-dimethylpyrazol-4-yl)-4-fluorobenzimidazol-2-amine
CID 102806335
1-(5-bromo-2-fluorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508680
1-(5-bromo-2-methylphenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508690
1-(4-bromo-3-methoxyphenyl)-4-fluorobenzimidazol-2-amine
CID 82859398
4-fluoro-1-methylbenzimidazol-2-amine
CID 60789590
2-(1-chloroethyl)-1-(2-ethylphenyl)-4-fluorobenzimidazole
CID 60788519
1-(3,4-dichlorophenyl)-4-fluorobenzimidazol-2-amine
CID 60790457

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine?
The IUPAC name of 1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine (CID 81288933) is 1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine.
What is the SMILES notation for 1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine?
The canonical SMILES for 1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine is CCc1cc(Br)ccc1-n1c(N)nc2c(F)cccc21.
What is the InChIKey of 1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine?
The InChIKey is HNVCTSCAJPUOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrFN3/c1-2-9-8-10(16)6-7-12(9)20-13-5-3-4-11(17)14(13)19-15(20)18/h3-8H,2H2,1H3,(H2,18,19).
What are the key properties of 1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine?
1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine has a molecular weight of 334.19 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-ethylphenyl)-4-fluorobenzimidazol-2-amine is sourced from PubChem (CID 81288933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).