3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine

C14H17F2N3O — CID 60841557

IUPAC3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2ccc(OC(F)F)cc2)[nH]1
InChIInChI=1S/C14H17F2N3O/c1-17-8-2-3-13-18-9-12(19-13)10-4-6-11(7-5-10)20-14(15)16/h4-7,9,14,17H,2-3,8H2,1H3,(H,18,19)
InChIKeyUBOZSDLFYBKRDB-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.83
Rot. Bonds7

About 3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine

3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine (PubChem CID 60841557) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
PubChem CID60841557
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2ccc(OC(F)F)cc2)[nH]1
InChIInChI=1S/C14H17F2N3O/c1-17-8-2-3-13-18-9-12(19-13)10-4-6-11(7-5-10)20-14(15)16/h4-7,9,14,17H,2-3,8H2,1H3,(H,18,19)
InChIKeyUBOZSDLFYBKRDB-UHFFFAOYSA-N
XLogP2.83
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852920
3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60842087
2-(2-chloroethyl)-5-(4-propan-2-yloxyphenyl)-1H-imidazole
CID 116878199
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 54924865
3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 116876962
1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine
CID 43651492
2-(2-chloroethyl)-5-(4-ethoxyphenyl)-1H-imidazole
CID 116878190
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851702
3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880162
1-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-N-methylmethanamine;dihydrochloride
CID 72716184
1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]cyclopentan-1-amine
CID 60854816
N-methyl-3-[5-(3-nitrophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 60841562

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine (CID 60841557) is 3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine is CNCCCc1ncc(-c2ccc(OC(F)F)cc2)[nH]1.
What is the InChIKey of 3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is UBOZSDLFYBKRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-17-8-2-3-13-18-9-12(19-13)10-4-6-11(7-5-10)20-14(15)16/h4-7,9,14,17H,2-3,8H2,1H3,(H,18,19).
What are the key properties of 3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine?
3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 281.31 g/mol, XLogP of 2.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 60841557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).