1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide

C9H12BrN3 — CID 2817952

IUPAC1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide
SMILESBr.NC1=NCCN1c1ccccc1
InChIInChI=1S/C9H11N3.BrH/c10-9-11-6-7-12(9)8-4-2-1-3-5-8;/h1-5H,6-7H2,(H2,10,11);1H
InChIKeyQUGCNOGJAZTLAY-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.40
Rot. Bonds1

About 1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide

1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide (PubChem CID 2817952) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide.

Molecular Properties

Compound Name1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide
PubChem CID2817952
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide
SMILESBr.NC1=NCCN1c1ccccc1
InChIInChI=1S/C9H11N3.BrH/c10-9-11-6-7-12(9)8-4-2-1-3-5-8;/h1-5H,6-7H2,(H2,10,11);1H
InChIKeyQUGCNOGJAZTLAY-UHFFFAOYSA-N
XLogP1.40
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide?
The IUPAC name of 1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide (CID 2817952) is 1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide.
What is the SMILES notation for 1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide?
The canonical SMILES for 1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide is Br.NC1=NCCN1c1ccccc1.
What is the InChIKey of 1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide?
The InChIKey is QUGCNOGJAZTLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3.BrH/c10-9-11-6-7-12(9)8-4-2-1-3-5-8;/h1-5H,6-7H2,(H2,10,11);1H.
What are the key properties of 1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide?
1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide has a molecular weight of 242.12 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4,5-dihydroimidazol-2-amine;hydrobromide is sourced from PubChem (CID 2817952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).