1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine

C14H15FN4O — CID 106375086

IUPAC1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2Cc1nc(C)c(C)o1
InChIInChI=1S/C14H15FN4O/c1-7-4-12-11(5-10(7)15)18-14(16)19(12)6-13-17-8(2)9(3)20-13/h4-5H,6H2,1-3H3,(H2,16,18)
InChIKeyNYJMFSDRPHBURL-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.72
Rot. Bonds2

About 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine

1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine (PubChem CID 106375086) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine.

Molecular Properties

Compound Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine
PubChem CID106375086
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine
SMILESCc1cc2c(cc1F)nc(N)n2Cc1nc(C)c(C)o1
InChIInChI=1S/C14H15FN4O/c1-7-4-12-11(5-10(7)15)18-14(16)19(12)6-13-17-8(2)9(3)20-13/h4-5H,6H2,1-3H3,(H2,16,18)
InChIKeyNYJMFSDRPHBURL-UHFFFAOYSA-N
XLogP2.72
TPSA69.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine?
The IUPAC name of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine (CID 106375086) is 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine.
What is the SMILES notation for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine?
The canonical SMILES for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine is Cc1cc2c(cc1F)nc(N)n2Cc1nc(C)c(C)o1.
What is the InChIKey of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine?
The InChIKey is NYJMFSDRPHBURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-7-4-12-11(5-10(7)15)18-14(16)19(12)6-13-17-8(2)9(3)20-13/h4-5H,6H2,1-3H3,(H2,16,18).
What are the key properties of 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine?
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine has a molecular weight of 274.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-6-methylbenzimidazol-2-amine is sourced from PubChem (CID 106375086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).