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

C14H13BrClN3O — CID 104654168

IUPAC5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccc(Br)o2)CN=C(N)N1c1cccc(Cl)c1
InChIInChI=1S/C14H13BrClN3O/c1-14(11-5-6-12(15)20-11)8-18-13(17)19(14)10-4-2-3-9(16)7-10/h2-7H,8H2,1H3,(H2,17,18)
InChIKeyAGIQSLYDJVYERG-UHFFFAOYSA-N
MW354.64 g/mol
LogP3.75
Rot. Bonds2

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

5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine (PubChem CID 104654168) has the molecular formula C14H13BrClN3O and a molecular weight of 354.64 g/mol. Its IUPAC name is 5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine
PubChem CID104654168
Molecular FormulaC14H13BrClN3O
Molecular Weight354.64 g/mol
Exact Mass352.99
IUPAC Name5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine
SMILESCC1(c2ccc(Br)o2)CN=C(N)N1c1cccc(Cl)c1
InChIInChI=1S/C14H13BrClN3O/c1-14(11-5-6-12(15)20-11)8-18-13(17)19(14)10-4-2-3-9(16)7-10/h2-7H,8H2,1H3,(H2,17,18)
InChIKeyAGIQSLYDJVYERG-UHFFFAOYSA-N
XLogP3.75
TPSA54.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79499638
1-(3-chlorophenyl)-5-ethyl-5-methyl-4H-imidazol-2-amine
CID 79504906
5-(5-bromofuran-2-yl)-5-methyl-1-propyl-4H-imidazol-2-amine
CID 104654160
1-(3-chlorophenyl)-5-(2-methoxyethyl)-5-methyl-4H-imidazol-2-amine
CID 79505501
1-(3-chlorophenyl)-6-methyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505132
5-(2-bromophenyl)-1-(3-bromophenyl)-5-methyl-4H-imidazol-2-amine
CID 79501098
1-(3-chlorophenyl)-6-ethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79504679
1-(3-chlorophenyl)-6,8-dimethyl-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79505809
1'-(3-chlorophenyl)spiro[1-azabicyclo[2.2.2]octane-3,5'-4H-imidazole]-2'-amine
CID 79499811
5-(2-chlorophenyl)-1-(3-fluorophenyl)-5-methyl-4H-imidazol-2-amine
CID 79501903
1-(3-chlorophenyl)-8'-methylspiro[4H-imidazole-5,3'-8-azabicyclo[3.2.1]octane]-2-amine
CID 79499185
5-methyl-1-(3-methylphenyl)-5-(4-methylphenyl)-4H-imidazol-2-amine
CID 79500241

Frequently Asked Questions

What is the IUPAC name of 5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine (CID 104654168) is 5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine is CC1(c2ccc(Br)o2)CN=C(N)N1c1cccc(Cl)c1.
What is the InChIKey of 5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine?
The InChIKey is AGIQSLYDJVYERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClN3O/c1-14(11-5-6-12(15)20-11)8-18-13(17)19(14)10-4-2-3-9(16)7-10/h2-7H,8H2,1H3,(H2,17,18).
What are the key properties of 5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine?
5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine has a molecular weight of 354.64 g/mol, XLogP of 3.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-bromofuran-2-yl)-1-(3-chlorophenyl)-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 104654168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).