1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine

C16H15ClFN3 — CID 79502372

IUPAC1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2cccc(F)c2)CN=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFN3/c1-16(11-3-2-4-13(18)9-11)10-20-15(19)21(16)14-7-5-12(17)6-8-14/h2-9H,10H2,1H3,(H2,19,20)
InChIKeyXLIGYNGKRRTIOY-UHFFFAOYSA-N
MW303.77 g/mol
LogP3.53
Rot. Bonds2

About 1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine

1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 79502372) has the molecular formula C16H15ClFN3 and a molecular weight of 303.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine
PubChem CID79502372
Molecular FormulaC16H15ClFN3
Molecular Weight303.77 g/mol
Exact Mass303.09
IUPAC Name1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2cccc(F)c2)CN=C(N)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H15ClFN3/c1-16(11-3-2-4-13(18)9-11)10-20-15(19)21(16)14-7-5-12(17)6-8-14/h2-9H,10H2,1H3,(H2,19,20)
InChIKeyXLIGYNGKRRTIOY-UHFFFAOYSA-N
XLogP3.53
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.77
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-5-methyl-5-phenyl-4H-imidazol-2-amine
CID 79505515
5-(2-chlorophenyl)-1-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79501903
5-methyl-1-(4-methylphenyl)-5-phenyl-4H-imidazol-2-amine
CID 79504873
5-(3-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79498707
5-(3-chloro-4-fluorophenyl)-1,5-dimethyl-4H-imidazol-2-amine
CID 79510819
5-methyl-5-(4-methylsulfanylphenyl)-1-phenyl-4H-imidazol-2-amine
CID 79500732
5-methyl-1-(3-methylphenyl)-5-(4-methylphenyl)-4H-imidazol-2-amine
CID 79500241
5-(2-chlorophenyl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79499638
1-(4-chlorophenyl)-5-methyl-5-(3-methylbutyl)-4H-imidazol-2-amine
CID 79521016
1-(3-methoxyphenyl)-5-methyl-5-pyridin-3-yl-4H-imidazol-2-amine
CID 79502759
5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine
CID 104654168
5-(4-chlorophenyl)-2-methyl-5,7-diazaspiro[3.4]oct-6-en-6-amine
CID 103565712

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine (CID 79502372) is 1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine is CC1(c2cccc(F)c2)CN=C(N)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is XLIGYNGKRRTIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClFN3/c1-16(11-3-2-4-13(18)9-11)10-20-15(19)21(16)14-7-5-12(17)6-8-14/h2-9H,10H2,1H3,(H2,19,20).
What are the key properties of 1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine?
1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 303.77 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79502372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).