5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine

C14H17BrClN3 — CID 66161297

IUPAC5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine
SMILESCCCCn1c(C)nc(-c2cc(Cl)ccc2Br)c1N
InChIInChI=1S/C14H17BrClN3/c1-3-4-7-19-9(2)18-13(14(19)17)11-8-10(16)5-6-12(11)15/h5-6,8H,3-4,7,17H2,1-2H3
InChIKeySOKIOWWEEJEURF-UHFFFAOYSA-N
MW342.67 g/mol
LogP4.66
Rot. Bonds4

About 5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine

5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine (PubChem CID 66161297) has the molecular formula C14H17BrClN3 and a molecular weight of 342.67 g/mol. Its IUPAC name is 5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine
PubChem CID66161297
Molecular FormulaC14H17BrClN3
Molecular Weight342.67 g/mol
Exact Mass341.03
IUPAC Name5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine
SMILESCCCCn1c(C)nc(-c2cc(Cl)ccc2Br)c1N
InChIInChI=1S/C14H17BrClN3/c1-3-4-7-19-9(2)18-13(14(19)17)11-8-10(16)5-6-12(11)15/h5-6,8H,3-4,7,17H2,1-2H3
InChIKeySOKIOWWEEJEURF-UHFFFAOYSA-N
XLogP4.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.67
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine?
The IUPAC name of 5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine (CID 66161297) is 5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine.
What is the SMILES notation for 5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine?
The canonical SMILES for 5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine is CCCCn1c(C)nc(-c2cc(Cl)ccc2Br)c1N.
What is the InChIKey of 5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine?
The InChIKey is SOKIOWWEEJEURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClN3/c1-3-4-7-19-9(2)18-13(14(19)17)11-8-10(16)5-6-12(11)15/h5-6,8H,3-4,7,17H2,1-2H3.
What are the key properties of 5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine?
5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine has a molecular weight of 342.67 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-5-chlorophenyl)-3-butyl-2-methylimidazol-4-amine is sourced from PubChem (CID 66161297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).