5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine

C11H8BrFN4O — CID 81177907

IUPAC5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1Cc1ccon1
InChIInChI=1S/C11H8BrFN4O/c12-7-3-9-10(4-8(7)13)17(11(14)15-9)5-6-1-2-18-16-6/h1-4H,5H2,(H2,14,15)
InChIKeyZHRRIOWWHIIGEK-UHFFFAOYSA-N
MW311.11 g/mol
LogP2.56
Rot. Bonds2

About 5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine

5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine (PubChem CID 81177907) has the molecular formula C11H8BrFN4O and a molecular weight of 311.11 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
PubChem CID81177907
Molecular FormulaC11H8BrFN4O
Molecular Weight311.11 g/mol
Exact Mass309.99
IUPAC Name5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Br)c(F)cc2n1Cc1ccon1
InChIInChI=1S/C11H8BrFN4O/c12-7-3-9-10(4-8(7)13)17(11(14)15-9)5-6-1-2-18-16-6/h1-4H,5H2,(H2,14,15)
InChIKeyZHRRIOWWHIIGEK-UHFFFAOYSA-N
XLogP2.56
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 103593049
5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 81178042
5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 66087655
5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66086491
5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66086489
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375048
6-bromo-5-fluoro-3-(1,2-oxazol-3-ylmethyl)-1H-benzimidazole-2-thione
CID 81178507
6-bromo-1-[(4-chlorophenyl)methyl]-5-fluorobenzimidazol-2-amine
CID 116737993
6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
CID 116738217
3-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 81176870
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine (CID 81177907) is 5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine is Nc1nc2cc(Br)c(F)cc2n1Cc1ccon1.
What is the InChIKey of 5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine?
The InChIKey is ZHRRIOWWHIIGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN4O/c12-7-3-9-10(4-8(7)13)17(11(14)15-9)5-6-1-2-18-16-6/h1-4H,5H2,(H2,14,15).
What are the key properties of 5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine?
5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine has a molecular weight of 311.11 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 81177907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).