5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine

C12H10BrFN4O — CID 106375048

IUPAC5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
SMILESCc1cnc(Cn2c(N)nc3cc(Br)c(F)cc32)o1
InChIInChI=1S/C12H10BrFN4O/c1-6-4-16-11(19-6)5-18-10-3-8(14)7(13)2-9(10)17-12(18)15/h2-4H,5H2,1H3,(H2,15,17)
InChIKeyWVCKYJWXIBENEL-UHFFFAOYSA-N
MW325.14 g/mol
LogP2.86
Rot. Bonds2

About 5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine

5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine (PubChem CID 106375048) has the molecular formula C12H10BrFN4O and a molecular weight of 325.14 g/mol. Its IUPAC name is 5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
PubChem CID106375048
Molecular FormulaC12H10BrFN4O
Molecular Weight325.14 g/mol
Exact Mass324.00
IUPAC Name5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
SMILESCc1cnc(Cn2c(N)nc3cc(Br)c(F)cc32)o1
InChIInChI=1S/C12H10BrFN4O/c1-6-4-16-11(19-6)5-18-10-3-8(14)7(13)2-9(10)17-12(18)15/h2-4H,5H2,1H3,(H2,15,17)
InChIKeyWVCKYJWXIBENEL-UHFFFAOYSA-N
XLogP2.86
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375785
6-bromo-5-fluoro-1-[(2-methyl-1,3-thiazol-5-yl)methyl]benzimidazol-2-amine
CID 116738217
5-methyl-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine
CID 106375037
5-bromo-6-fluoro-1-[(4-methoxyphenyl)methyl]benzimidazol-2-amine
CID 66086489
5-bromo-6-fluoro-1-propylbenzimidazol-2-amine
CID 66088233
5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106374991
5-bromo-6-fluoro-1-(pyridin-2-ylmethyl)benzimidazol-2-amine
CID 66087655
5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 81177907
5-bromo-6-fluoro-1-pentylbenzimidazol-2-amine
CID 66086682
5-bromo-1-[(2-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66086491
2-[[2-(1-chloroethyl)-5-fluoro-6-methylbenzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 106375787
ethyl 4-(2-amino-5-bromo-6-fluorobenzimidazol-1-yl)butanoate
CID 66088450

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine (CID 106375048) is 5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine is Cc1cnc(Cn2c(N)nc3cc(Br)c(F)cc32)o1.
What is the InChIKey of 5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
The InChIKey is WVCKYJWXIBENEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4O/c1-6-4-16-11(19-6)5-18-10-3-8(14)7(13)2-9(10)17-12(18)15/h2-4H,5H2,1H3,(H2,15,17).
What are the key properties of 5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine?
5-bromo-6-fluoro-1-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine has a molecular weight of 325.14 g/mol, XLogP of 2.86, 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-[(5-methyl-1,3-oxazol-2-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 106375048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).