6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine

C18H15FN4O — CID 121293105

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine
SMILESCc1noc(C)c1-c1cc(Nc2cccc(F)c2)c2nc[nH]c2c1
InChIInChI=1S/C18H15FN4O/c1-10-17(11(2)24-23-10)12-6-15-18(21-9-20-15)16(7-12)22-14-5-3-4-13(19)8-14/h3-9,22H,1-2H3,(H,20,21)
InChIKeyIJVVQWUGXVRGTF-UHFFFAOYSA-N
MW322.34 g/mol
LogP4.72
Rot. Bonds3

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine (PubChem CID 121293105) has the molecular formula C18H15FN4O and a molecular weight of 322.34 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine
PubChem CID121293105
Molecular FormulaC18H15FN4O
Molecular Weight322.34 g/mol
Exact Mass322.12
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine
SMILESCc1noc(C)c1-c1cc(Nc2cccc(F)c2)c2nc[nH]c2c1
InChIInChI=1S/C18H15FN4O/c1-10-17(11(2)24-23-10)12-6-15-18(21-9-20-15)16(7-12)22-14-5-3-4-13(19)8-14/h3-9,22H,1-2H3,(H,20,21)
InChIKeyIJVVQWUGXVRGTF-UHFFFAOYSA-N
XLogP4.72
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine (CID 121293105) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine is Cc1noc(C)c1-c1cc(Nc2cccc(F)c2)c2nc[nH]c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine?
The InChIKey is IJVVQWUGXVRGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN4O/c1-10-17(11(2)24-23-10)12-6-15-18(21-9-20-15)16(7-12)22-14-5-3-4-13(19)8-14/h3-9,22H,1-2H3,(H,20,21).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine has a molecular weight of 322.34 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-fluorophenyl)-1H-benzimidazol-4-amine is sourced from PubChem (CID 121293105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).