1-phenyl-4,5-dihydroimidazol-2-amine bromide

C9H11BrN3- — CID 21240419

IUPAC1-phenyl-4,5-dihydroimidazol-2-amine bromide
SMILESNC1=NCCN1c1ccccc1.[Br-]
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/p-1
InChIKeyQUGCNOGJAZTLAY-UHFFFAOYSA-M
MW241.11 g/mol
LogP-2.17
Rot. Bonds1

About 1-phenyl-4,5-dihydroimidazol-2-amine bromide

1-phenyl-4,5-dihydroimidazol-2-amine bromide (PubChem CID 21240419) has the molecular formula C9H11BrN3- and a molecular weight of 241.11 g/mol. Its IUPAC name is 1-phenyl-4,5-dihydroimidazol-2-amine bromide.

Molecular Properties

Compound Name1-phenyl-4,5-dihydroimidazol-2-amine bromide
PubChem CID21240419
Molecular FormulaC9H11BrN3-
Molecular Weight241.11 g/mol
Exact Mass240.01
IUPAC Name1-phenyl-4,5-dihydroimidazol-2-amine bromide
SMILESNC1=NCCN1c1ccccc1.[Br-]
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/p-1
InChIKeyQUGCNOGJAZTLAY-UHFFFAOYSA-M
XLogP-2.17
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 5-2.17
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 bromide?
The IUPAC name of 1-phenyl-4,5-dihydroimidazol-2-amine bromide (CID 21240419) is 1-phenyl-4,5-dihydroimidazol-2-amine bromide.
What is the SMILES notation for 1-phenyl-4,5-dihydroimidazol-2-amine bromide?
The canonical SMILES for 1-phenyl-4,5-dihydroimidazol-2-amine bromide is NC1=NCCN1c1ccccc1.[Br-].
What is the InChIKey of 1-phenyl-4,5-dihydroimidazol-2-amine bromide?
The InChIKey is QUGCNOGJAZTLAY-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 1-phenyl-4,5-dihydroimidazol-2-amine bromide?
1-phenyl-4,5-dihydroimidazol-2-amine bromide has a molecular weight of 241.11 g/mol, XLogP of -2.17, 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 bromide is sourced from PubChem (CID 21240419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).