[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C15H18FN3O — CID 114717737

IUPAC[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1ccc(-n2cncc2C(N)C2CCOC2)c(F)c1
InChIInChI=1S/C15H18FN3O/c1-10-2-3-13(12(16)6-10)19-9-18-7-14(19)15(17)11-4-5-20-8-11/h2-3,6-7,9,11,15H,4-5,8,17H2,1H3
InChIKeyAGDPQFRZURPYHG-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.36
Rot. Bonds3

About [3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 114717737) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is [3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID114717737
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1ccc(-n2cncc2C(N)C2CCOC2)c(F)c1
InChIInChI=1S/C15H18FN3O/c1-10-2-3-13(12(16)6-10)19-9-18-7-14(19)15(17)11-4-5-20-8-11/h2-3,6-7,9,11,15H,4-5,8,17H2,1H3
InChIKeyAGDPQFRZURPYHG-UHFFFAOYSA-N
XLogP2.36
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 114717737) is [3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is Cc1ccc(-n2cncc2C(N)C2CCOC2)c(F)c1.
What is the InChIKey of [3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is AGDPQFRZURPYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-10-2-3-13(12(16)6-10)19-9-18-7-14(19)15(17)11-4-5-20-8-11/h2-3,6-7,9,11,15H,4-5,8,17H2,1H3.
What are the key properties of [3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 275.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-fluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 114717737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).