5-(4-bromophenyl)-3-methylimidazol-4-amine

C10H10BrN3 — CID 53275816

IUPAC5-(4-bromophenyl)-3-methylimidazol-4-amine
SMILESCn1cnc(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C10H10BrN3/c1-14-6-13-9(10(14)12)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKeyVBQKMZZEPOTCHJ-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.43
Rot. Bonds1

About 5-(4-bromophenyl)-3-methylimidazol-4-amine

5-(4-bromophenyl)-3-methylimidazol-4-amine (PubChem CID 53275816) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-3-methylimidazol-4-amine
PubChem CID53275816
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name5-(4-bromophenyl)-3-methylimidazol-4-amine
SMILESCn1cnc(-c2ccc(Br)cc2)c1N
InChIInChI=1S/C10H10BrN3/c1-14-6-13-9(10(14)12)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
InChIKeyVBQKMZZEPOTCHJ-UHFFFAOYSA-N
XLogP2.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3-methylimidazol-4-amine?
The IUPAC name of 5-(4-bromophenyl)-3-methylimidazol-4-amine (CID 53275816) is 5-(4-bromophenyl)-3-methylimidazol-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-3-methylimidazol-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-3-methylimidazol-4-amine is Cn1cnc(-c2ccc(Br)cc2)c1N.
What is the InChIKey of 5-(4-bromophenyl)-3-methylimidazol-4-amine?
The InChIKey is VBQKMZZEPOTCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c1-14-6-13-9(10(14)12)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3.
What are the key properties of 5-(4-bromophenyl)-3-methylimidazol-4-amine?
5-(4-bromophenyl)-3-methylimidazol-4-amine has a molecular weight of 252.12 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3-methylimidazol-4-amine is sourced from PubChem (CID 53275816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).