4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline

C15H13BrN4 — CID 105367555

IUPAC4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline
SMILESCc1cnc(-n2ccnc2-c2ccc(N)cc2)c(Br)c1
InChIInChI=1S/C15H13BrN4/c1-10-8-13(16)15(19-9-10)20-7-6-18-14(20)11-2-4-12(17)5-3-11/h2-9H,17H2,1H3
InChIKeyJSRHJGBOCSRIIN-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.59
Rot. Bonds2

About 4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline

4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline (PubChem CID 105367555) has the molecular formula C15H13BrN4 and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline.

Molecular Properties

Compound Name4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline
PubChem CID105367555
Molecular FormulaC15H13BrN4
Molecular Weight329.20 g/mol
Exact Mass328.03
IUPAC Name4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline
SMILESCc1cnc(-n2ccnc2-c2ccc(N)cc2)c(Br)c1
InChIInChI=1S/C15H13BrN4/c1-10-8-13(16)15(19-9-10)20-7-6-18-14(20)11-2-4-12(17)5-3-11/h2-9H,17H2,1H3
InChIKeyJSRHJGBOCSRIIN-UHFFFAOYSA-N
XLogP3.59
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline?
The IUPAC name of 4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline (CID 105367555) is 4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline.
What is the SMILES notation for 4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline?
The canonical SMILES for 4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline is Cc1cnc(-n2ccnc2-c2ccc(N)cc2)c(Br)c1.
What is the InChIKey of 4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline?
The InChIKey is JSRHJGBOCSRIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4/c1-10-8-13(16)15(19-9-10)20-7-6-18-14(20)11-2-4-12(17)5-3-11/h2-9H,17H2,1H3.
What are the key properties of 4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline?
4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline has a molecular weight of 329.20 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-bromo-5-methyl-2-pyridinyl)imidazol-2-yl]aniline is sourced from PubChem (CID 105367555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).