3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide

C11H12BrFN4O — CID 116738268

IUPAC3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C11H12BrFN4O/c1-15-10(18)2-3-17-9-4-6(12)7(13)5-8(9)16-11(17)14/h4-5H,2-3H2,1H3,(H2,14,16)(H,15,18)
InChIKeySULQGSLJHKKBHL-UHFFFAOYSA-N
MW315.15 g/mol
LogP1.66
Rot. Bonds3

About 3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide

3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide (PubChem CID 116738268) has the molecular formula C11H12BrFN4O and a molecular weight of 315.15 g/mol. Its IUPAC name is 3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide
PubChem CID116738268
Molecular FormulaC11H12BrFN4O
Molecular Weight315.15 g/mol
Exact Mass314.02
IUPAC Name3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide
SMILESCNC(=O)CCn1c(N)nc2cc(F)c(Br)cc21
InChIInChI=1S/C11H12BrFN4O/c1-15-10(18)2-3-17-9-4-6(12)7(13)5-8(9)16-11(17)14/h4-5H,2-3H2,1H3,(H2,14,16)(H,15,18)
InChIKeySULQGSLJHKKBHL-UHFFFAOYSA-N
XLogP1.66
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.15
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide?
The IUPAC name of 3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide (CID 116738268) is 3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for 3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide?
The canonical SMILES for 3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide is CNC(=O)CCn1c(N)nc2cc(F)c(Br)cc21.
What is the InChIKey of 3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide?
The InChIKey is SULQGSLJHKKBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN4O/c1-15-10(18)2-3-17-9-4-6(12)7(13)5-8(9)16-11(17)14/h4-5H,2-3H2,1H3,(H2,14,16)(H,15,18).
What are the key properties of 3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide?
3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide has a molecular weight of 315.15 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-bromo-5-fluorobenzimidazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 116738268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).