1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine

C11H12BrN3 — CID 107581447

IUPAC1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine
SMILESCNc1nccn1-c1cc(C)cc(Br)c1
InChIInChI=1S/C11H12BrN3/c1-8-5-9(12)7-10(6-8)15-4-3-14-11(15)13-2/h3-7H,1-2H3,(H,13,14)
InChIKeyRNVSWCXHCDRMDI-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.98
Rot. Bonds2

About 1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine

1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine (PubChem CID 107581447) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine
PubChem CID107581447
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine
SMILESCNc1nccn1-c1cc(C)cc(Br)c1
InChIInChI=1S/C11H12BrN3/c1-8-5-9(12)7-10(6-8)15-4-3-14-11(15)13-2/h3-7H,1-2H3,(H,13,14)
InChIKeyRNVSWCXHCDRMDI-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine (CID 107581447) is 1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine is CNc1nccn1-c1cc(C)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine?
The InChIKey is RNVSWCXHCDRMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-8-5-9(12)7-10(6-8)15-4-3-14-11(15)13-2/h3-7H,1-2H3,(H,13,14).
What are the key properties of 1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine?
1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine has a molecular weight of 266.14 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-N-methylimidazol-2-amine is sourced from PubChem (CID 107581447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).