[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

C15H17F2N3O — CID 103587990

IUPAC[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1cc(F)c(-n2cncc2C(N)C2CCOC2)cc1F
InChIInChI=1S/C15H17F2N3O/c1-9-4-12(17)13(5-11(9)16)20-8-19-6-14(20)15(18)10-2-3-21-7-10/h4-6,8,10,15H,2-3,7,18H2,1H3
InChIKeyPFFYPFDPECKUMT-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.50
Rot. Bonds3

About [3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine

[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (PubChem CID 103587990) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is [3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
PubChem CID103587990
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine
SMILESCc1cc(F)c(-n2cncc2C(N)C2CCOC2)cc1F
InChIInChI=1S/C15H17F2N3O/c1-9-4-12(17)13(5-11(9)16)20-8-19-6-14(20)15(18)10-2-3-21-7-10/h4-6,8,10,15H,2-3,7,18H2,1H3
InChIKeyPFFYPFDPECKUMT-UHFFFAOYSA-N
XLogP2.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-4-methoxybutan-2-amine
CID 75427699
2-[1-[(2,4-Difluorophenyl)methyl]pyrrolidin-3-yl]-1-(3-methoxypropyl)-5-methylimidazole
CID 91923888
(2S)-3-(1-benzylimidazol-4-yl)-2-(2-methylpropylamino)propan-1-ol
CID 102056381
1-(5-fluoro-2-methylphenyl)-2-(tetrahydrofuran-3-yl)-1H-imidazole
CID 56740403
N-[(4-fluorophenyl)methyl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]oxan-4-amine
CID 138000976
3-[1-[4-(Trifluoromethyl)phenyl]imidazol-4-yl]propoxyurea
CID 53683312
2-[2-(Oxan-4-yl)imidazol-1-yl]-5-(trifluoromethyl)aniline
CID 59198807
(1S)-1-[1-[4-(difluoromethyl)-3-fluorophenyl]imidazol-4-yl]ethanamine
CID 90414327
(S)-1-(2,5-difluoro-4-(4-methyl-1H-imidazol-1-yl)phenyl)ethanamine
CID 90414663
(S)-1-(1-(4-(Difluoromethyl)phenyl)-1H-imidazol-4-yl)ethan-1-amine
CID 90414902
(1S)-1-[1-[4-(difluoromethyl)-3-fluorophenyl]imidazol-4-yl]ethanamine;hydrochloride
CID 90422921
[1-Benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine
CID 90459402

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The IUPAC name of [3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine (CID 103587990) is [3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine.
What is the SMILES notation for [3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The canonical SMILES for [3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is Cc1cc(F)c(-n2cncc2C(N)C2CCOC2)cc1F.
What is the InChIKey of [3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
The InChIKey is PFFYPFDPECKUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-9-4-12(17)13(5-11(9)16)20-8-19-6-14(20)15(18)10-2-3-21-7-10/h4-6,8,10,15H,2-3,7,18H2,1H3.
What are the key properties of [3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine?
[3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine has a molecular weight of 293.32 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-difluoro-4-methylphenyl)imidazol-4-yl]-(oxolan-3-yl)methanamine is sourced from PubChem (CID 103587990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).