4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one

C13H16BrN3O — CID 82998977

IUPAC4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one
SMILESCC(C)(C)NC1=NC(c2cccc(Br)c2)C(=O)N1
InChIInChI=1S/C13H16BrN3O/c1-13(2,3)17-12-15-10(11(18)16-12)8-5-4-6-9(14)7-8/h4-7,10H,1-3H3,(H2,15,16,17,18)
InChIKeyPOSOIRYNEUDTJX-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.36
Rot. Bonds1

About 4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one

4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one (PubChem CID 82998977) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one
PubChem CID82998977
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one
SMILESCC(C)(C)NC1=NC(c2cccc(Br)c2)C(=O)N1
InChIInChI=1S/C13H16BrN3O/c1-13(2,3)17-12-15-10(11(18)16-12)8-5-4-6-9(14)7-8/h4-7,10H,1-3H3,(H2,15,16,17,18)
InChIKeyPOSOIRYNEUDTJX-UHFFFAOYSA-N
XLogP2.36
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one?
The IUPAC name of 4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one (CID 82998977) is 4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one is CC(C)(C)NC1=NC(c2cccc(Br)c2)C(=O)N1.
What is the InChIKey of 4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one?
The InChIKey is POSOIRYNEUDTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-13(2,3)17-12-15-10(11(18)16-12)8-5-4-6-9(14)7-8/h4-7,10H,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one?
4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one has a molecular weight of 310.19 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-2-(tert-butylamino)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 82998977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).