2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one

C10H10BrN3O — CID 82997865

IUPAC2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one
SMILESCc1cc(C2N=C(N)NC2=O)ccc1Br
InChIInChI=1S/C10H10BrN3O/c1-5-4-6(2-3-7(5)11)8-9(15)14-10(12)13-8/h2-4,8H,1H3,(H3,12,13,14,15)
InChIKeyBVEWKXNCRQPPHW-UHFFFAOYSA-N
MW268.11 g/mol
LogP1.24
Rot. Bonds1

About 2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one

2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one (PubChem CID 82997865) has the molecular formula C10H10BrN3O and a molecular weight of 268.11 g/mol. Its IUPAC name is 2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one
PubChem CID82997865
Molecular FormulaC10H10BrN3O
Molecular Weight268.11 g/mol
Exact Mass267.00
IUPAC Name2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one
SMILESCc1cc(C2N=C(N)NC2=O)ccc1Br
InChIInChI=1S/C10H10BrN3O/c1-5-4-6(2-3-7(5)11)8-9(15)14-10(12)13-8/h2-4,8H,1H3,(H3,12,13,14,15)
InChIKeyBVEWKXNCRQPPHW-UHFFFAOYSA-N
XLogP1.24
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one (CID 82997865) is 2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one is Cc1cc(C2N=C(N)NC2=O)ccc1Br.
What is the InChIKey of 2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one?
The InChIKey is BVEWKXNCRQPPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3O/c1-5-4-6(2-3-7(5)11)8-9(15)14-10(12)13-8/h2-4,8H,1H3,(H3,12,13,14,15).
What are the key properties of 2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one?
2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one has a molecular weight of 268.11 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-bromo-3-methylphenyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82997865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).