N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine

C12H12ClF2N3O — CID 106578727

IUPACN-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1ccnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H12ClF2N3O/c1-19-5-4-18-3-2-16-12(18)17-11-9(13)6-8(14)7-10(11)15/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyLGYBUCXJHYGPSU-UHFFFAOYSA-N
MW287.70 g/mol
LogP3.20
Rot. Bonds5

About N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine

N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine (PubChem CID 106578727) has the molecular formula C12H12ClF2N3O and a molecular weight of 287.70 g/mol. Its IUPAC name is N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
PubChem CID106578727
Molecular FormulaC12H12ClF2N3O
Molecular Weight287.70 g/mol
Exact Mass287.06
IUPAC NameN-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
SMILESCOCCn1ccnc1Nc1c(F)cc(F)cc1Cl
InChIInChI=1S/C12H12ClF2N3O/c1-19-5-4-18-3-2-16-12(18)17-11-9(13)6-8(14)7-10(11)15/h2-3,6-7H,4-5H2,1H3,(H,16,17)
InChIKeyLGYBUCXJHYGPSU-UHFFFAOYSA-N
XLogP3.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.70
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106578712
N-(2-bromo-4,6-difluorophenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106561351
N-(2-chloro-4,6-difluorophenyl)-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106578706
1-(2-methoxyethyl)-N-(2,4,6-trimethylphenyl)imidazol-2-amine
CID 106555369
N-(2,5-difluoro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106583661
N-(2-bromo-6-chloro-4-fluorophenyl)-1-butylimidazol-2-amine
CID 107618171
N-(3-chlorophenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106558420
N-(2-bromo-5-chloro-4-methylphenyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106580696
N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(2-methoxyethyl)imidazol-2-amine
CID 106563769
N-(2-chloro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106576265
N-(2-fluoro-6-methylphenyl)-1-(3-methoxypropyl)imidazol-2-amine
CID 106581649
N-(2,6-dichloro-4-fluorophenyl)-1-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106578795

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The IUPAC name of N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine (CID 106578727) is N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine.
What is the SMILES notation for N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The canonical SMILES for N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine is COCCn1ccnc1Nc1c(F)cc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
The InChIKey is LGYBUCXJHYGPSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF2N3O/c1-19-5-4-18-3-2-16-12(18)17-11-9(13)6-8(14)7-10(11)15/h2-3,6-7H,4-5H2,1H3,(H,16,17).
What are the key properties of N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine?
N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine has a molecular weight of 287.70 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-difluorophenyl)-1-(2-methoxyethyl)imidazol-2-amine is sourced from PubChem (CID 106578727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).