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

C13H15ClFN3O — CID 106568956

IUPACN-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFN3O/c1-9-8-18(5-6-19-2)13(16-9)17-12-4-3-10(14)7-11(12)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyCSJBDAQZBJOMIA-UHFFFAOYSA-N
MW283.73 g/mol
LogP3.37
Rot. Bonds5

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

N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106568956) has the molecular formula C13H15ClFN3O and a molecular weight of 283.73 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106568956
Molecular FormulaC13H15ClFN3O
Molecular Weight283.73 g/mol
Exact Mass283.09
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCn1cc(C)nc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C13H15ClFN3O/c1-9-8-18(5-6-19-2)13(16-9)17-12-4-3-10(14)7-11(12)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyCSJBDAQZBJOMIA-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluoro-5-methoxyphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106576976
N-(4-bromo-2-chlorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106561203
1-(3-methoxypropyl)-4-methyl-N-(2,4,5-trifluorophenyl)imidazol-2-amine
CID 106570758
N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554458
N-(2-iodophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554281
N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106565203
N-(4-bromo-2,3-dichlorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 107795879
1-(2-methoxyethyl)-4-methyl-N-(4-methylsulfanylphenyl)imidazol-2-amine
CID 106556608
N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106578795
1-butyl-N-(5-chloro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106560600
N-(2-bromo-4-chlorophenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106577587
N-(2,6-diethylphenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106556075

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106568956) is N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCn1cc(C)nc1Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is CSJBDAQZBJOMIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3O/c1-9-8-18(5-6-19-2)13(16-9)17-12-4-3-10(14)7-11(12)15/h3-4,7-8H,5-6H2,1-2H3,(H,16,17).
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine?
N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 283.73 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106568956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).