1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine

C16H24BrN3 — CID 79514410

IUPAC1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine
SMILESCCC(C)CC1(CC)CN=C(N)N1c1cccc(Br)c1
InChIInChI=1S/C16H24BrN3/c1-4-12(3)10-16(5-2)11-19-15(18)20(16)14-8-6-7-13(17)9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19)
InChIKeyMXXZAVQPZZJBMZ-UHFFFAOYSA-N
MW338.29 g/mol
LogP4.17
Rot. Bonds5

About 1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine

1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine (PubChem CID 79514410) has the molecular formula C16H24BrN3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine
PubChem CID79514410
Molecular FormulaC16H24BrN3
Molecular Weight338.29 g/mol
Exact Mass337.12
IUPAC Name1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine
SMILESCCC(C)CC1(CC)CN=C(N)N1c1cccc(Br)c1
InChIInChI=1S/C16H24BrN3/c1-4-12(3)10-16(5-2)11-19-15(18)20(16)14-8-6-7-13(17)9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19)
InChIKeyMXXZAVQPZZJBMZ-UHFFFAOYSA-N
XLogP4.17
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine?
The IUPAC name of 1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine (CID 79514410) is 1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine.
What is the SMILES notation for 1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine?
The canonical SMILES for 1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine is CCC(C)CC1(CC)CN=C(N)N1c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine?
The InChIKey is MXXZAVQPZZJBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3/c1-4-12(3)10-16(5-2)11-19-15(18)20(16)14-8-6-7-13(17)9-14/h6-9,12H,4-5,10-11H2,1-3H3,(H2,18,19).
What are the key properties of 1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine?
1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine has a molecular weight of 338.29 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-5-ethyl-5-(2-methylbutyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79514410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).