2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one

C21H21Br2N3O — CID 86275756

IUPAC2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one
SMILESNC1=NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C21H21Br2N3O/c22-16-10-6-14(7-11-16)21(15-8-12-17(23)13-9-15)19(27)26(20(24)25-21)18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H2,24,25)
InChIKeyZLKGTRXPEZYJEM-UHFFFAOYSA-N
MW491.23 g/mol
LogP4.94
Rot. Bonds3

About 2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one

2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one (PubChem CID 86275756) has the molecular formula C21H21Br2N3O and a molecular weight of 491.23 g/mol. Its IUPAC name is 2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one.

Molecular Properties

Compound Name2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one
PubChem CID86275756
Molecular FormulaC21H21Br2N3O
Molecular Weight491.23 g/mol
Exact Mass489.01
IUPAC Name2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one
SMILESNC1=NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1C1CCCCC1
InChIInChI=1S/C21H21Br2N3O/c22-16-10-6-14(7-11-16)21(15-8-12-17(23)13-9-15)19(27)26(20(24)25-21)18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H2,24,25)
InChIKeyZLKGTRXPEZYJEM-UHFFFAOYSA-N
XLogP4.94
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.23
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one?
The IUPAC name of 2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one (CID 86275756) is 2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one.
What is the SMILES notation for 2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one?
The canonical SMILES for 2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one is NC1=NC(c2ccc(Br)cc2)(c2ccc(Br)cc2)C(=O)N1C1CCCCC1.
What is the InChIKey of 2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one?
The InChIKey is ZLKGTRXPEZYJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21Br2N3O/c22-16-10-6-14(7-11-16)21(15-8-12-17(23)13-9-15)19(27)26(20(24)25-21)18-4-2-1-3-5-18/h6-13,18H,1-5H2,(H2,24,25).
What are the key properties of 2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one?
2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one has a molecular weight of 491.23 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5,5-bis(4-bromophenyl)-3-cyclohexylimidazol-4-one is sourced from PubChem (CID 86275756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).