2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide

C13H16BrFN4O — CID 116738488

IUPAC2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C13H16BrFN4O/c1-6(2)17-12(20)7(3)19-11-4-8(14)9(15)5-10(11)18-13(19)16/h4-7H,1-3H3,(H2,16,18)(H,17,20)
InChIKeyHLNSJYSQCKXHEA-UHFFFAOYSA-N
MW343.20 g/mol
LogP2.61
Rot. Bonds3

About 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide

2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 116738488) has the molecular formula C13H16BrFN4O and a molecular weight of 343.20 g/mol. Its IUPAC name is 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide
PubChem CID116738488
Molecular FormulaC13H16BrFN4O
Molecular Weight343.20 g/mol
Exact Mass342.05
IUPAC Name2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)C(C)n1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C13H16BrFN4O/c1-6(2)17-12(20)7(3)19-11-4-8(14)9(15)5-10(11)18-13(19)16/h4-7H,1-3H3,(H2,16,18)(H,17,20)
InChIKeyHLNSJYSQCKXHEA-UHFFFAOYSA-N
XLogP2.61
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-amino-6-fluoro-5-iodobenzimidazol-1-yl)-N-methylpropanamide
CID 66102164
6-bromo-1-(1-cyclohexylethyl)-5-fluorobenzimidazol-2-amine
CID 116738302
6-bromo-5-fluoro-1-hexan-2-ylbenzimidazol-2-amine
CID 116738290
methyl 2-(2-amino-5-chloro-6-fluorobenzimidazol-1-yl)propanoate
CID 66076580
6-bromo-5-fluoro-1-(1-pyridin-2-ylethyl)benzimidazol-2-amine
CID 116738133
3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide
CID 116738268
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
2-(2-amino-6-bromobenzimidazol-1-yl)-N-propylpropanamide
CID 65344760
6-bromo-5-fluoro-1-(5-methylhexyl)benzimidazol-2-amine
CID 116738450
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N,N-dimethylacetamide
CID 116738123

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide (CID 116738488) is 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide is CC(C)NC(=O)C(C)n1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is HLNSJYSQCKXHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN4O/c1-6(2)17-12(20)7(3)19-11-4-8(14)9(15)5-10(11)18-13(19)16/h4-7H,1-3H3,(H2,16,18)(H,17,20).
What are the key properties of 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide?
2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 343.20 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 116738488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).