N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine

C10H10BrN3 — CID 130608000

IUPACN-[(2-bromophenyl)methyl]-1H-imidazol-5-amine
SMILESBrc1ccccc1CNc1cnc[nH]1
InChIInChI=1S/C10H10BrN3/c11-9-4-2-1-3-8(9)5-13-10-6-12-7-14-10/h1-4,6-7,13H,5H2,(H,12,14)
InChIKeyWYQMYLNXHWKKOR-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.78
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine

N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine (PubChem CID 130608000) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-1H-imidazol-5-amine
PubChem CID130608000
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC NameN-[(2-bromophenyl)methyl]-1H-imidazol-5-amine
SMILESBrc1ccccc1CNc1cnc[nH]1
InChIInChI=1S/C10H10BrN3/c11-9-4-2-1-3-8(9)5-13-10-6-12-7-14-10/h1-4,6-7,13H,5H2,(H,12,14)
InChIKeyWYQMYLNXHWKKOR-UHFFFAOYSA-N
XLogP2.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine?
The IUPAC name of N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine (CID 130608000) is N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine?
The canonical SMILES for N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine is Brc1ccccc1CNc1cnc[nH]1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine?
The InChIKey is WYQMYLNXHWKKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c11-9-4-2-1-3-8(9)5-13-10-6-12-7-14-10/h1-4,6-7,13H,5H2,(H,12,14).
What are the key properties of N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine?
N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine has a molecular weight of 252.12 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-1H-imidazol-5-amine is sourced from PubChem (CID 130608000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).