3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine

C13H15F2N3 — CID 54924865

IUPAC3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2c(F)cccc2F)[nH]1
InChIInChI=1S/C13H15F2N3/c1-16-7-3-6-12-17-8-11(18-12)13-9(14)4-2-5-10(13)15/h2,4-5,8,16H,3,6-7H2,1H3,(H,17,18)
InChIKeyPAODARWRUSLFNQ-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.51
Rot. Bonds5

About 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine

3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine (PubChem CID 54924865) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
PubChem CID54924865
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
SMILESCNCCCc1ncc(-c2c(F)cccc2F)[nH]1
InChIInChI=1S/C13H15F2N3/c1-16-7-3-6-12-17-8-11(18-12)13-9(14)4-2-5-10(13)15/h2,4-5,8,16H,3,6-7H2,1H3,(H,17,18)
InChIKeyPAODARWRUSLFNQ-UHFFFAOYSA-N
XLogP2.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-3-[5-(2-methyl-1H-indol-3-yl)-1H-imidazol-2-yl]propan-1-amine
CID 116876967
3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60842087
3-[5-[4-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 60841557
3-[5-(5-bromo-2-methylphenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 116876977
2-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]acetic acid
CID 83850964
N-methyl-3-[5-(3-nitrophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 60841562
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 82290112
3-[5-(2,3-dihydro-1H-inden-5-yl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 116876962
1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43649904
3-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]-N-propan-2-ylpropan-1-amine
CID 60851712
2-[5-(4-ethoxy-3-fluorophenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95469456
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
CID 79813479

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine (CID 54924865) is 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine is CNCCCc1ncc(-c2c(F)cccc2F)[nH]1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine?
The InChIKey is PAODARWRUSLFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-16-7-3-6-12-17-8-11(18-12)13-9(14)4-2-5-10(13)15/h2,4-5,8,16H,3,6-7H2,1H3,(H,17,18).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine?
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine has a molecular weight of 251.28 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 54924865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).