N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide

C32H36BrCl2N7O6S — CID 59923713

IUPACN-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide
SMILESC[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCN(C(=O)CNC(=O)CCN4CCOCC4)CC3)n21
InChIInChI=1S/C32H36BrCl2N7O6S/c1-32(19-22-2-4-23(33)5-3-22)30(45)41(26-17-24(34)16-25(35)18-26)31-37-21-29(42(31)32)49(46,47)40-10-8-39(9-11-40)28(44)20-36-27(43)6-7-38-12-14-48-15-13-38/h2-5,16-18,21H,6-15,19-20H2,1H3,(H,36,43)/t32-/m1/s1
InChIKeyGIJTWHPOJHQXRY-JGCGQSQUSA-N
MW797.56 g/mol
LogP3.26
Rot. Bonds10

About N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide

N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide (PubChem CID 59923713) has the molecular formula C32H36BrCl2N7O6S and a molecular weight of 797.56 g/mol. Its IUPAC name is N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide
PubChem CID59923713
Molecular FormulaC32H36BrCl2N7O6S
Molecular Weight797.56 g/mol
Exact Mass795.10
IUPAC NameN-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide
SMILESC[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCN(C(=O)CNC(=O)CCN4CCOCC4)CC3)n21
InChIInChI=1S/C32H36BrCl2N7O6S/c1-32(19-22-2-4-23(33)5-3-22)30(45)41(26-17-24(34)16-25(35)18-26)31-37-21-29(42(31)32)49(46,47)40-10-8-39(9-11-40)28(44)20-36-27(43)6-7-38-12-14-48-15-13-38/h2-5,16-18,21H,6-15,19-20H2,1H3,(H,36,43)/t32-/m1/s1
InChIKeyGIJTWHPOJHQXRY-JGCGQSQUSA-N
XLogP3.26
TPSA137.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms49
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500797.56
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide (CID 59923713) is N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide.
What is the SMILES notation for N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide is C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCN(C(=O)CNC(=O)CCN4CCOCC4)CC3)n21.
What is the InChIKey of N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide?
The InChIKey is GIJTWHPOJHQXRY-JGCGQSQUSA-N. The full InChI is InChI=1S/C32H36BrCl2N7O6S/c1-32(19-22-2-4-23(33)5-3-22)30(45)41(26-17-24(34)16-25(35)18-26)31-37-21-29(42(31)32)49(46,47)40-10-8-39(9-11-40)28(44)20-36-27(43)6-7-38-12-14-48-15-13-38/h2-5,16-18,21H,6-15,19-20H2,1H3,(H,36,43)/t32-/m1/s1.
What are the key properties of N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide?
N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide has a molecular weight of 797.56 g/mol, XLogP of 3.26, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazin-1-yl]-2-oxoethyl]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 59923713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).