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

C12H11FN4O — CID 103593049

IUPAC5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2Cc1ccon1
InChIInChI=1S/C12H11FN4O/c1-7-4-11-10(5-9(7)13)15-12(14)17(11)6-8-2-3-18-16-8/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyPXSZIVGIYJXXGP-UHFFFAOYSA-N
MW246.25 g/mol
LogP2.10
Rot. Bonds2

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

5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine (PubChem CID 103593049) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
PubChem CID103593049
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2Cc1ccon1
InChIInChI=1S/C12H11FN4O/c1-7-4-11-10(5-9(7)13)15-12(14)17(11)6-8-2-3-18-16-8/h2-5H,6H2,1H3,(H2,14,15)
InChIKeyPXSZIVGIYJXXGP-UHFFFAOYSA-N
XLogP2.10
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-6-fluoro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 81177907
5,6-dichloro-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine
CID 81178042
5-fluoro-6-methyl-1-(1,2-oxazol-5-ylmethyl)benzimidazol-2-amine
CID 106419797
5-fluoro-6-methyl-1-[(1-methylimidazol-2-yl)methyl]benzimidazol-2-amine
CID 103592946
5-fluoro-6-methyl-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzimidazol-2-amine
CID 106419721
5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazol-2-amine
CID 103593126
3-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 81176870
3-[[2-(2-chloroethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]methyl]-1,2-oxazole
CID 81177225
5-fluoro-6-methyl-1-(5,5,5-trifluoropentyl)benzimidazol-2-amine
CID 103593064
5-(2-amino-5-fluoro-6-methylbenzimidazol-1-yl)pentanamide
CID 106240006
3-(1,2-oxazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 81177285
5-fluoro-6-methyl-1-(7-methyloctyl)benzimidazol-2-amine
CID 107816923

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine (CID 103593049) is 5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2Cc1ccon1.
What is the InChIKey of 5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine?
The InChIKey is PXSZIVGIYJXXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c1-7-4-11-10(5-9(7)13)15-12(14)17(11)6-8-2-3-18-16-8/h2-5H,6H2,1H3,(H2,14,15).
What are the key properties of 5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine?
5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine has a molecular weight of 246.25 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-1-(1,2-oxazol-3-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 103593049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).