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

C15H17FN4O — CID 166264558

IUPAC5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine
SMILESCC(C)c1nocc1CNc1nc2cc(F)ccc2n1C
InChIInChI=1S/C15H17FN4O/c1-9(2)14-10(8-21-19-14)7-17-15-18-12-6-11(16)4-5-13(12)20(15)3/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyQSYBQUYUAKXEOH-UHFFFAOYSA-N
MW288.33 g/mol
LogP3.44
Rot. Bonds4

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

5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine (PubChem CID 166264558) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine
PubChem CID166264558
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine
SMILESCC(C)c1nocc1CNc1nc2cc(F)ccc2n1C
InChIInChI=1S/C15H17FN4O/c1-9(2)14-10(8-21-19-14)7-17-15-18-12-6-11(16)4-5-13(12)20(15)3/h4-6,8-9H,7H2,1-3H3,(H,17,18)
InChIKeyQSYBQUYUAKXEOH-UHFFFAOYSA-N
XLogP3.44
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine?
The IUPAC name of 5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine (CID 166264558) is 5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine?
The canonical SMILES for 5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine is CC(C)c1nocc1CNc1nc2cc(F)ccc2n1C.
What is the InChIKey of 5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine?
The InChIKey is QSYBQUYUAKXEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-9(2)14-10(8-21-19-14)7-17-15-18-12-6-11(16)4-5-13(12)20(15)3/h4-6,8-9H,7H2,1-3H3,(H,17,18).
What are the key properties of 5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine?
5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine has a molecular weight of 288.33 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-N-[(3-propan-2-yl-1,2-oxazol-4-yl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 166264558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).