6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine

C14H12BrFN4 — CID 116738133

IUPAC6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
SMILESCC(c1ccccn1)n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C14H12BrFN4/c1-8(11-4-2-3-5-18-11)20-13-6-9(15)10(16)7-12(13)19-14(20)17/h2-8H,1H3,(H2,17,19)
InChIKeyROJQNOISCUPZGU-UHFFFAOYSA-N
MW335.18 g/mol
LogP3.52
Rot. Bonds2

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

6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine (PubChem CID 116738133) has the molecular formula C14H12BrFN4 and a molecular weight of 335.18 g/mol. Its IUPAC name is 6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
PubChem CID116738133
Molecular FormulaC14H12BrFN4
Molecular Weight335.18 g/mol
Exact Mass334.02
IUPAC Name6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
SMILESCC(c1ccccn1)n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C14H12BrFN4/c1-8(11-4-2-3-5-18-11)20-13-6-9(15)10(16)7-12(13)19-14(20)17/h2-8H,1H3,(H2,17,19)
InChIKeyROJQNOISCUPZGU-UHFFFAOYSA-N
XLogP3.52
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 66077919
5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 43662111
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
6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine
CID 116738302
6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 116738290
5-bromo-6-fluoro-1-[1-(5-methylthiophen-2-yl)ethyl]benzimidazol-2-amine
CID 66087858
6-bromo-5-fluoro-1-(2-propan-2-ylphenyl)benzimidazol-2-amine
CID 116738105
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide
CID 116738488
5-methyl-3-(1-pyridin-2-ylethyl)imidazo[4,5-b]pyridin-2-amine
CID 81138308
5-bromo-6-fluoro-1-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]benzimidazol-2-amine
CID 66088258
5-bromo-6-fluoro-1-(5-methylhexan-2-yl)benzimidazol-2-amine
CID 66086898

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine?
The IUPAC name of 6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine (CID 116738133) is 6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine?
The canonical SMILES for 6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine is CC(c1ccccn1)n1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine?
The InChIKey is ROJQNOISCUPZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrFN4/c1-8(11-4-2-3-5-18-11)20-13-6-9(15)10(16)7-12(13)19-14(20)17/h2-8H,1H3,(H2,17,19).
What are the key properties of 6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine?
6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine has a molecular weight of 335.18 g/mol, XLogP of 3.52, 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-pyridin-2-ylethyl)benzimidazol-2-amine is sourced from PubChem (CID 116738133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).