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

C11H8ClFN4O — CID 114186520

IUPAC5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1Cc1ccno1
InChIInChI=1S/C11H8ClFN4O/c12-7-3-9-10(4-8(7)13)17(11(14)16-9)5-6-1-2-15-18-6/h1-4H,5H2,(H2,14,16)
InChIKeyMMAUWABSWWCDDI-UHFFFAOYSA-N
MW266.66 g/mol
LogP2.45
Rot. Bonds2

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

5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine (PubChem CID 114186520) has the molecular formula C11H8ClFN4O and a molecular weight of 266.66 g/mol. Its IUPAC name is 5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
PubChem CID114186520
Molecular FormulaC11H8ClFN4O
Molecular Weight266.66 g/mol
Exact Mass266.04
IUPAC Name5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
SMILESNc1nc2cc(Cl)c(F)cc2n1Cc1ccno1
InChIInChI=1S/C11H8ClFN4O/c12-7-3-9-10(4-8(7)13)17(11(14)16-9)5-6-1-2-15-18-6/h1-4H,5H2,(H2,14,16)
InChIKeyMMAUWABSWWCDDI-UHFFFAOYSA-N
XLogP2.45
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.66
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-6-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419797
5-chloro-6-fluoro-1-(furan-2-ylmethyl)benzimidazol-2-amine
CID 66076737
1-benzyl-5-chloro-6-fluorobenzimidazol-2-amine
CID 66079066
4-chloro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419843
5-chloro-1-[(3-chlorophenyl)methyl]-6-fluorobenzimidazol-2-amine
CID 66078721
5-chloro-1-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106374991
5-chloro-6-fluoro-1-[2-(2-methylpyrazol-3-yl)ethyl]benzimidazol-2-amine
CID 103008434
5-chloro-6-fluoro-1-[2-(4-fluorophenyl)ethyl]benzimidazol-2-amine
CID 66078679
5-chloro-1-(2,2-dicyclopropylethyl)-6-fluorobenzimidazol-2-amine
CID 66077162
5-chloro-1-[(1,5-dimethylpyrazol-4-yl)methyl]-6-fluorobenzimidazol-2-amine
CID 106035619
5-chloro-6-fluoro-1-(2-thiophen-3-ylethyl)benzimidazol-2-amine
CID 66076958
5-chloro-6-fluoro-1-[(1-methylcyclopropyl)methyl]benzimidazol-2-amine
CID 114101070

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine (CID 114186520) is 5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine is Nc1nc2cc(Cl)c(F)cc2n1Cc1ccno1.
What is the InChIKey of 5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
The InChIKey is MMAUWABSWWCDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClFN4O/c12-7-3-9-10(4-8(7)13)17(11(14)16-9)5-6-1-2-15-18-6/h1-4H,5H2,(H2,14,16).
What are the key properties of 5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine?
5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine has a molecular weight of 266.66 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-fluoro-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 114186520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).