[1-(4-bromophenyl)imidazol-4-yl]methanamine

C10H10BrN3 — CID 82481393

IUPAC[1-(4-bromophenyl)imidazol-4-yl]methanamine
SMILESNCc1cn(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C10H10BrN3/c11-8-1-3-10(4-2-8)14-6-9(5-12)13-7-14/h1-4,6-7H,5,12H2
InChIKeyMGSRZWMMIKTLSI-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.09
Rot. Bonds2

About [1-(4-bromophenyl)imidazol-4-yl]methanamine

[1-(4-bromophenyl)imidazol-4-yl]methanamine (PubChem CID 82481393) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is [1-(4-bromophenyl)imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-(4-bromophenyl)imidazol-4-yl]methanamine
PubChem CID82481393
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name[1-(4-bromophenyl)imidazol-4-yl]methanamine
SMILESNCc1cn(-c2ccc(Br)cc2)cn1
InChIInChI=1S/C10H10BrN3/c11-8-1-3-10(4-2-8)14-6-9(5-12)13-7-14/h1-4,6-7H,5,12H2
InChIKeyMGSRZWMMIKTLSI-UHFFFAOYSA-N
XLogP2.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromophenyl)imidazol-4-yl]methanamine?
The IUPAC name of [1-(4-bromophenyl)imidazol-4-yl]methanamine (CID 82481393) is [1-(4-bromophenyl)imidazol-4-yl]methanamine.
What is the SMILES notation for [1-(4-bromophenyl)imidazol-4-yl]methanamine?
The canonical SMILES for [1-(4-bromophenyl)imidazol-4-yl]methanamine is NCc1cn(-c2ccc(Br)cc2)cn1.
What is the InChIKey of [1-(4-bromophenyl)imidazol-4-yl]methanamine?
The InChIKey is MGSRZWMMIKTLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c11-8-1-3-10(4-2-8)14-6-9(5-12)13-7-14/h1-4,6-7H,5,12H2.
What are the key properties of [1-(4-bromophenyl)imidazol-4-yl]methanamine?
[1-(4-bromophenyl)imidazol-4-yl]methanamine has a molecular weight of 252.12 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromophenyl)imidazol-4-yl]methanamine is sourced from PubChem (CID 82481393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).