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

C15H19F2N3O — CID 60852920

IUPACN-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ncc(-c2ccc(OC(F)F)cc2)[nH]1
InChIInChI=1S/C15H19F2N3O/c1-10(2)18-8-7-14-19-9-13(20-14)11-3-5-12(6-4-11)21-15(16)17/h3-6,9-10,15,18H,7-8H2,1-2H3,(H,19,20)
InChIKeyBKKJUELBPFGSMV-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.22
Rot. Bonds7

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

N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine (PubChem CID 60852920) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
PubChem CID60852920
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC NameN-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
SMILESCC(C)NCCc1ncc(-c2ccc(OC(F)F)cc2)[nH]1
InChIInChI=1S/C15H19F2N3O/c1-10(2)18-8-7-14-19-9-13(20-14)11-3-5-12(6-4-11)21-15(16)17/h3-6,9-10,15,18H,7-8H2,1-2H3,(H,19,20)
InChIKeyBKKJUELBPFGSMV-UHFFFAOYSA-N
XLogP3.22
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60841557
N-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852379
N-[2-(5-phenyl-1H-imidazol-2-yl)ethyl]propan-2-amine
CID 60852746
N-[2-[5-[4-(2-methylpropyl)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60852192
N-[2-[5-(4-nitrophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853279
2-(2-chloroethyl)-5-(4-propan-2-yloxyphenyl)-1H-imidazole
CID 116878199
3-[5-(4-ethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851702
1-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-2-methylbutan-1-amine
CID 43651492
N-[2-[5-(2,4-dimethoxyphenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60853832
N-[2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]ethyl]propan-2-amine
CID 60854362
3-[5-(4-propan-2-yloxyphenyl)-1H-imidazol-2-yl]propanenitrile
CID 116880162
2-(2-chloroethyl)-5-(4-ethoxyphenyl)-1H-imidazole
CID 116878190

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine (CID 60852920) is N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine is CC(C)NCCc1ncc(-c2ccc(OC(F)F)cc2)[nH]1.
What is the InChIKey of N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine?
The InChIKey is BKKJUELBPFGSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-10(2)18-8-7-14-19-9-13(20-14)11-3-5-12(6-4-11)21-15(16)17/h3-6,9-10,15,18H,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine?
N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine has a molecular weight of 295.33 g/mol, XLogP of 3.22, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]ethyl]propan-2-amine is sourced from PubChem (CID 60852920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).