5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline

C15H18BrN3 — CID 59198855

IUPAC5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline
SMILESNc1cc(Br)ccc1-n1ccnc1C1CCCCC1
InChIInChI=1S/C15H18BrN3/c16-12-6-7-14(13(17)10-12)19-9-8-18-15(19)11-4-2-1-3-5-11/h6-11H,1-5,17H2
InChIKeyRKYLGVYRVSKBJM-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.26
Rot. Bonds2

About 5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline

5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline (PubChem CID 59198855) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline.

Molecular Properties

Compound Name5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline
PubChem CID59198855
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline
SMILESNc1cc(Br)ccc1-n1ccnc1C1CCCCC1
InChIInChI=1S/C15H18BrN3/c16-12-6-7-14(13(17)10-12)19-9-8-18-15(19)11-4-2-1-3-5-11/h6-11H,1-5,17H2
InChIKeyRKYLGVYRVSKBJM-UHFFFAOYSA-N
XLogP4.26
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline?
The IUPAC name of 5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline (CID 59198855) is 5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline.
What is the SMILES notation for 5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline?
The canonical SMILES for 5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline is Nc1cc(Br)ccc1-n1ccnc1C1CCCCC1.
What is the InChIKey of 5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline?
The InChIKey is RKYLGVYRVSKBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c16-12-6-7-14(13(17)10-12)19-9-8-18-15(19)11-4-2-1-3-5-11/h6-11H,1-5,17H2.
What are the key properties of 5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline?
5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline has a molecular weight of 320.23 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-cyclohexylimidazol-1-yl)aniline is sourced from PubChem (CID 59198855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).