(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one

C23H21BrCl2N4O4S — CID 24739148

IUPAC(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one
SMILESC[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCOCC3)n21
InChIInChI=1S/C23H21BrCl2N4O4S/c1-23(13-15-2-4-16(24)5-3-15)21(31)29(19-11-17(25)10-18(26)12-19)22-27-14-20(30(22)23)35(32,33)28-6-8-34-9-7-28/h2-5,10-12,14H,6-9,13H2,1H3/t23-/m1/s1
InChIKeyMYIHWAVPLWUTSA-HSZRJFAPSA-N
MW600.32 g/mol
LogP4.61
Rot. Bonds5

About (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one

(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one (PubChem CID 24739148) has the molecular formula C23H21BrCl2N4O4S and a molecular weight of 600.32 g/mol. Its IUPAC name is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one.

Molecular Properties

Compound Name(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one
PubChem CID24739148
Molecular FormulaC23H21BrCl2N4O4S
Molecular Weight600.32 g/mol
Exact Mass597.98
IUPAC Name(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one
SMILESC[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCOCC3)n21
InChIInChI=1S/C23H21BrCl2N4O4S/c1-23(13-15-2-4-16(24)5-3-15)21(31)29(19-11-17(25)10-18(26)12-19)22-27-14-20(30(22)23)35(32,33)28-6-8-34-9-7-28/h2-5,10-12,14H,6-9,13H2,1H3/t23-/m1/s1
InChIKeyMYIHWAVPLWUTSA-HSZRJFAPSA-N
XLogP4.61
TPSA84.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.32
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one?
The IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one (CID 24739148) is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one.
What is the SMILES notation for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one?
The canonical SMILES for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one is C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCOCC3)n21.
What is the InChIKey of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one?
The InChIKey is MYIHWAVPLWUTSA-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H21BrCl2N4O4S/c1-23(13-15-2-4-16(24)5-3-15)21(31)29(19-11-17(25)10-18(26)12-19)22-27-14-20(30(22)23)35(32,33)28-6-8-34-9-7-28/h2-5,10-12,14H,6-9,13H2,1H3/t23-/m1/s1.
What are the key properties of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one?
(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one has a molecular weight of 600.32 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-morpholin-4-ylsulfonylimidazo[1,2-a]imidazol-6-one is sourced from PubChem (CID 24739148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).