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

C23H22BrCl2N5O2 — CID 142041783

IUPAC(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one
SMILESC[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(ON3CCNCC3)n21
InChIInChI=1S/C23H22BrCl2N5O2/c1-23(13-15-2-4-16(24)5-3-15)21(32)30(19-11-17(25)10-18(26)12-19)22-28-14-20(31(22)23)33-29-8-6-27-7-9-29/h2-5,10-12,14,27H,6-9,13H2,1H3/t23-/m1/s1
InChIKeyQXRVFAWEMHOUDI-HSZRJFAPSA-N
MW551.27 g/mol
LogP4.79
Rot. Bonds5

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

(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one (PubChem CID 142041783) has the molecular formula C23H22BrCl2N5O2 and a molecular weight of 551.27 g/mol. Its IUPAC name is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one.

Molecular Properties

Compound Name(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one
PubChem CID142041783
Molecular FormulaC23H22BrCl2N5O2
Molecular Weight551.27 g/mol
Exact Mass549.03
IUPAC Name(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one
SMILESC[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(ON3CCNCC3)n21
InChIInChI=1S/C23H22BrCl2N5O2/c1-23(13-15-2-4-16(24)5-3-15)21(32)30(19-11-17(25)10-18(26)12-19)22-28-14-20(31(22)23)33-29-8-6-27-7-9-29/h2-5,10-12,14,27H,6-9,13H2,1H3/t23-/m1/s1
InChIKeyQXRVFAWEMHOUDI-HSZRJFAPSA-N
XLogP4.79
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.27
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carbonitrile
CID 11317514
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-prop-2-enylimidazo[1,2-a]imidazol-6-one
CID 18337863
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
CID 18338045
(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-sulfonic acid
CID 59923705
(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide
CID 59923816
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperidin-1-ylsulfonylimidazo[1,2-a]imidazol-6-one
CID 11433367
(5R)-5-[(4-bromophenyl)methyl]-7-(3-chloro-5-methylphenyl)-3-iodo-5-methylimidazo[1,2-a]imidazol-6-one
CID 59881484
(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-(4-methoxypiperidin-1-yl)sulfonyl-5-methylimidazo[1,2-a]imidazol-6-one
CID 59923759
(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-(3-oxopyrrolidin-1-yl)sulfonylimidazo[1,2-a]imidazol-6-one
CID 59923822
5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-3-(4-hydroxypiperidin-1-yl)sulfonyl-5-methylimidazo[1,2-a]imidazol-6-one
CID 11410955
3-(4-acetylpiperazin-1-yl)sulfonyl-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methylimidazo[1,2-a]imidazol-6-one
CID 18337952
4-[5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-6-oxoimidazo[1,2-a]imidazol-3-yl]sulfonylpiperazine-1-carbaldehyde
CID 18337912

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one?
The IUPAC name of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one (CID 142041783) is (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one.
What is the SMILES notation for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one?
The canonical SMILES for (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one is C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(ON3CCNCC3)n21.
What is the InChIKey of (5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one?
The InChIKey is QXRVFAWEMHOUDI-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H22BrCl2N5O2/c1-23(13-15-2-4-16(24)5-3-15)21(32)30(19-11-17(25)10-18(26)12-19)22-28-14-20(31(22)23)33-29-8-6-27-7-9-29/h2-5,10-12,14,27H,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-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one?
(5R)-5-[(4-bromophenyl)methyl]-7-(3,5-dichlorophenyl)-5-methyl-3-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one has a molecular weight of 551.27 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 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-piperazin-1-yloxyimidazo[1,2-a]imidazol-6-one is sourced from PubChem (CID 142041783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).