1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine

C13H15ClFN3O — CID 106554124

IUPAC1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3O/c1-9-8-18(13(17-9)16-5-6-19-2)12-4-3-10(15)7-11(12)14/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyWVYVXINCGZMKSP-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.03
Rot. Bonds5

About 1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine

1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106554124) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106554124
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC Name1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1-c1ccc(F)cc1Cl
InChIInChI=1S/C13H15ClFN3O/c1-9-8-18(13(17-9)16-5-6-19-2)12-4-3-10(15)7-11(12)14/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyWVYVXINCGZMKSP-UHFFFAOYSA-N
XLogP3.03
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.73
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106554124) is 1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCNc1nc(C)cn1-c1ccc(F)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is WVYVXINCGZMKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c1-9-8-18(13(17-9)16-5-6-19-2)12-4-3-10(15)7-11(12)14/h3-4,7-8H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 283.73 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106554124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).