1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine

C13H16FN3O2 — CID 106576999

IUPAC1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1-c1cc(OC)ccc1F
InChIInChI=1S/C13H16FN3O2/c1-18-8-6-16-13-15-5-7-17(13)12-9-10(19-2)3-4-11(12)14/h3-5,7,9H,6,8H2,1-2H3,(H,15,16)
InChIKeyQTBPCLHNEFQZIX-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.08
Rot. Bonds6

About 1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine

1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106576999) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine
PubChem CID106576999
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCNc1nccn1-c1cc(OC)ccc1F
InChIInChI=1S/C13H16FN3O2/c1-18-8-6-16-13-15-5-7-17(13)12-9-10(19-2)3-4-11(12)14/h3-5,7,9H,6,8H2,1-2H3,(H,15,16)
InChIKeyQTBPCLHNEFQZIX-UHFFFAOYSA-N
XLogP2.08
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluoro-5-methoxyphenyl)imidazol-2-amine
CID 106576957
1-(2-chloro-4-iodophenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 107605184
N-(2-methoxyethyl)-1-[2-(2-methoxyethyl)phenyl]imidazol-2-amine
CID 106582959
N-ethyl-1-(2-fluoro-5-methylphenyl)imidazol-2-amine
CID 106561073
1-(4-tert-butylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106556263
1-(2,5-dibromophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106566399
1-(5-bromo-2-fluorophenyl)-N-ethylimidazol-2-amine
CID 106562440
1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106582958
1-(2-bromo-5-chloro-4-methylphenyl)-N-(2-methoxyethyl)imidazol-2-amine
CID 106580686
N-butyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556796
1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106560326
1-[2-(4-fluorophenyl)ethyl]-N-(2-methoxyethyl)imidazol-2-amine
CID 106556060

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of 1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine (CID 106576999) is 1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for 1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for 1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine is COCCNc1nccn1-c1cc(OC)ccc1F.
What is the InChIKey of 1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is QTBPCLHNEFQZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-18-8-6-16-13-15-5-7-17(13)12-9-10(19-2)3-4-11(12)14/h3-5,7,9H,6,8H2,1-2H3,(H,15,16).
What are the key properties of 1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine?
1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 265.29 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-5-methoxyphenyl)-N-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106576999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).