2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine

C22H17FN6O — CID 58515602

IUPAC2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine
SMILESCc1ncc(-c2cnc(Nc3cccc4c3nc(-c3ccc(F)cc3)n4C)nc2)o1
InChIInChI=1S/C22H17FN6O/c1-13-24-12-19(30-13)15-10-25-22(26-11-15)27-17-4-3-5-18-20(17)28-21(29(18)2)14-6-8-16(23)9-7-14/h3-12H,1-2H3,(H,25,26,27)
InChIKeyBSQCVSNYANBUOC-UHFFFAOYSA-N
MW400.42 g/mol
LogP4.88
Rot. Bonds4

About 2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine

2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine (PubChem CID 58515602) has the molecular formula C22H17FN6O and a molecular weight of 400.42 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine
PubChem CID58515602
Molecular FormulaC22H17FN6O
Molecular Weight400.42 g/mol
Exact Mass400.14
IUPAC Name2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine
SMILESCc1ncc(-c2cnc(Nc3cccc4c3nc(-c3ccc(F)cc3)n4C)nc2)o1
InChIInChI=1S/C22H17FN6O/c1-13-24-12-19(30-13)15-10-25-22(26-11-15)27-17-4-3-5-18-20(17)28-21(29(18)2)14-6-8-16(23)9-7-14/h3-12H,1-2H3,(H,25,26,27)
InChIKeyBSQCVSNYANBUOC-UHFFFAOYSA-N
XLogP4.88
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.42
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine (CID 58515602) is 2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine is Cc1ncc(-c2cnc(Nc3cccc4c3nc(-c3ccc(F)cc3)n4C)nc2)o1.
What is the InChIKey of 2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine?
The InChIKey is BSQCVSNYANBUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6O/c1-13-24-12-19(30-13)15-10-25-22(26-11-15)27-17-4-3-5-18-20(17)28-21(29(18)2)14-6-8-16(23)9-7-14/h3-12H,1-2H3,(H,25,26,27).
What are the key properties of 2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine?
2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine has a molecular weight of 400.42 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-methyl-N-[5-(2-methyl-1,3-oxazol-5-yl)pyrimidin-2-yl]benzimidazol-4-amine is sourced from PubChem (CID 58515602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).