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

C14H17F2N3O — CID 60842087

IUPAC3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2ccccc2OC(F)F)[nH]1
InChIInChI=1S/C14H17F2N3O/c1-17-8-4-7-13-18-9-11(19-13)10-5-2-3-6-12(10)20-14(15)16/h2-3,5-6,9,14,17H,4,7-8H2,1H3,(H,18,19)
InChIKeyJLKFTJBCLTUDRG-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.83
Rot. Bonds7

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

3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine (PubChem CID 60842087) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
PubChem CID60842087
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2ccccc2OC(F)F)[nH]1
InChIInChI=1S/C14H17F2N3O/c1-17-8-4-7-13-18-9-11(19-13)10-5-2-3-6-12(10)20-14(15)16/h2-3,5-6,9,14,17H,4,7-8H2,1H3,(H,18,19)
InChIKeyJLKFTJBCLTUDRG-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60841557
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 54924865
2-(2-chloroethyl)-5-(2-methoxyphenyl)-1H-imidazole
CID 116878237
3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine
CID 79814319
N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 60850115
N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876967
3-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 116876977
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116878678
N-[2-[5-(2-ethoxyphenyl)-1H-imidazol-2-yl]ethyl]cyclopropanamine
CID 60868569
[5-(2-methoxyphenyl)-1H-imidazol-2-yl]methanamine
CID 43649243
5-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-2-yl-1H-imidazole
CID 43650697
tert-butyl N-[2-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]ethyl]carbamate
CID 71279113

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine (CID 60842087) is 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine is CNCCCc1ncc(-c2ccccc2OC(F)F)[nH]1.
What is the InChIKey of 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is JLKFTJBCLTUDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-17-8-4-7-13-18-9-11(19-13)10-5-2-3-6-12(10)20-14(15)16/h2-3,5-6,9,14,17H,4,7-8H2,1H3,(H,18,19).
What are the key properties of 3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine?
3-[5-[2-(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-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 60842087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).