1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine

C15H19F2N3O — CID 43651492

IUPAC1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ncc(-c2ccc(OC(F)F)cc2)[nH]1
InChIInChI=1S/C15H19F2N3O/c1-3-9(2)13(18)14-19-8-12(20-14)10-4-6-11(7-5-10)21-15(16)17/h4-9,13,15H,3,18H2,1-2H3,(H,19,20)
InChIKeyCSIXIMKJAVODHI-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.72
Rot. Bonds6

About 1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine

1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine (PubChem CID 43651492) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine
PubChem CID43651492
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1ncc(-c2ccc(OC(F)F)cc2)[nH]1
InChIInChI=1S/C15H19F2N3O/c1-3-9(2)13(18)14-19-8-12(20-14)10-4-6-11(7-5-10)21-15(16)17/h4-9,13,15H,3,18H2,1-2H3,(H,19,20)
InChIKeyCSIXIMKJAVODHI-UHFFFAOYSA-N
XLogP3.72
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-(4-ethoxyphenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 43651379
3-methyl-1-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]butan-1-amine
CID 43651267
N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852920
3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60841557
2-methyl-1-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-1-amine
CID 43651547
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]ethanamine;dihydrochloride
CID 72716189
1-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]ethanamine
CID 43649795
1-[5-[3-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-3-methoxypropan-1-amine
CID 62476310
1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclopentan-1-amine
CID 60854816
2-(2-chloroethyl)-5-(4-propan-2-yloxyphenyl)-1H-imidazole
CID 116878199
3-amino-4-[5-[4-(trifluoromethoxy)phenyl]-1H-imidazol-2-yl]pentanal
CID 174727937
1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43649904

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine?
The IUPAC name of 1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine (CID 43651492) is 1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine.
What is the SMILES notation for 1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine?
The canonical SMILES for 1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine is CCC(C)C(N)c1ncc(-c2ccc(OC(F)F)cc2)[nH]1.
What is the InChIKey of 1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine?
The InChIKey is CSIXIMKJAVODHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-3-9(2)13(18)14-19-8-12(20-14)10-4-6-11(7-5-10)21-15(16)17/h4-9,13,15H,3,18H2,1-2H3,(H,19,20).
What are the key properties of 1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine?
1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine has a molecular weight of 295.33 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 43651492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).