3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine

C15H19F2N3O — CID 79814319

IUPAC3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1ncc(-c2ccccc2OC(F)F)[nH]1
InChIInChI=1S/C15H19F2N3O/c1-3-15(18,4-2)13-19-9-11(20-13)10-7-5-6-8-12(10)21-14(16)17/h5-9,14H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyITVMNXYJVXZXMC-UHFFFAOYSA-N
MW295.33 g/mol
LogP3.65
Rot. Bonds6

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

3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine (PubChem CID 79814319) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine
PubChem CID79814319
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1ncc(-c2ccccc2OC(F)F)[nH]1
InChIInChI=1S/C15H19F2N3O/c1-3-15(18,4-2)13-19-9-11(20-13)10-7-5-6-8-12(10)21-14(16)17/h5-9,14H,3-4,18H2,1-2H3,(H,19,20)
InChIKeyITVMNXYJVXZXMC-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine?
The IUPAC name of 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine (CID 79814319) is 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine?
The canonical SMILES for 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine is CCC(N)(CC)c1ncc(-c2ccccc2OC(F)F)[nH]1.
What is the InChIKey of 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine?
The InChIKey is ITVMNXYJVXZXMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-3-15(18,4-2)13-19-9-11(20-13)10-7-5-6-8-12(10)21-14(16)17/h5-9,14H,3-4,18H2,1-2H3,(H,19,20).
What are the key properties of 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine?
3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine has a molecular weight of 295.33 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine is sourced from PubChem (CID 79814319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).