5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine

C15H20BrN3 — CID 62219385

IUPAC5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine
SMILESCCc1nc(-c2cccc(Br)c2)c(N)n1CC(C)C
InChIInChI=1S/C15H20BrN3/c1-4-13-18-14(11-6-5-7-12(16)8-11)15(17)19(13)9-10(2)3/h5-8,10H,4,9,17H2,1-3H3
InChIKeyBQSLBOWKAUONOP-UHFFFAOYSA-N
MW322.25 g/mol
LogP4.11
Rot. Bonds4

About 5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine

5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine (PubChem CID 62219385) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is 5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine
PubChem CID62219385
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC Name5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine
SMILESCCc1nc(-c2cccc(Br)c2)c(N)n1CC(C)C
InChIInChI=1S/C15H20BrN3/c1-4-13-18-14(11-6-5-7-12(16)8-11)15(17)19(13)9-10(2)3/h5-8,10H,4,9,17H2,1-3H3
InChIKeyBQSLBOWKAUONOP-UHFFFAOYSA-N
XLogP4.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine?
The IUPAC name of 5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine (CID 62219385) is 5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine is CCc1nc(-c2cccc(Br)c2)c(N)n1CC(C)C.
What is the InChIKey of 5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine?
The InChIKey is BQSLBOWKAUONOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-4-13-18-14(11-6-5-7-12(16)8-11)15(17)19(13)9-10(2)3/h5-8,10H,4,9,17H2,1-3H3.
What are the key properties of 5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine?
5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine has a molecular weight of 322.25 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-2-ethyl-3-(2-methylpropyl)imidazol-4-amine is sourced from PubChem (CID 62219385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).