bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one

C90H100Br2Cl3N21O13 — CID 160691296

IUPACbis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCOc1ccc(CN)cc1.COc1ccc(CN2CCN(c3ccnc(Cl)n3)C2=O)cc1.COc1ccc(CN2CCN(c3nccc(Br)n3)C2=O)cc1.COc1ccc(CN2CCN(c3nccc(Br)n3)C2=O)cc1.COc1ccc(CN2CCN(c3nccc(Cl)n3)C2=O)cc1.COc1ccc(CN2CCNC2=O)cc1.COc1ccc(CNC(=O)NCCCl)cc1
InChIInChI=1S/2C15H15BrN4O2.2C15H15ClN4O2.C11H15ClN2O2.C11H14N2O2.C8H11NO/c2*1-22-12-4-2-11(3-5-12)10-19-8-9-20(15(19)21)14-17-7-6-13(16)18-14;1-22-12-4-2-11(3-5-12)10-19-8-9-20(15(19)21)13-6-7-17-14(16)18-13;1-22-12-4-2-11(3-5-12)10-19-8-9-20(15(19)21)14-17-7-6-13(16)18-14;1-16-10-4-2-9(3-5-10)8-14-11(15)13-7-6-12;1-15-10-4-2-9(3-5-10)8-13-7-6-12-11(13)14;1-10-8-4-2-7(6-9)3-5-8/h4*2-7H,8-10H2,1H3;2-5H,6-8H2,1H3,(H2,13,14,15);2-5H,6-8H2,1H3,(H,12,14);2-5H,6,9H2,1H3
InChIKeyRPKZQLNGKXZVIA-UHFFFAOYSA-N
MW1950.09 g/mol
LogP14.65
Rot. Bonds26

About bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one

bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one (PubChem CID 160691296) has the molecular formula C90H100Br2Cl3N21O13 and a molecular weight of 1950.09 g/mol. Its IUPAC name is bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Namebis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one
PubChem CID160691296
Molecular FormulaC90H100Br2Cl3N21O13
Molecular Weight1950.09 g/mol
Exact Mass1945.52
IUPAC Namebis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one
SMILESCOc1ccc(CN)cc1.COc1ccc(CN2CCN(c3ccnc(Cl)n3)C2=O)cc1.COc1ccc(CN2CCN(c3nccc(Br)n3)C2=O)cc1.COc1ccc(CN2CCN(c3nccc(Br)n3)C2=O)cc1.COc1ccc(CN2CCN(c3nccc(Cl)n3)C2=O)cc1.COc1ccc(CN2CCNC2=O)cc1.COc1ccc(CNC(=O)NCCCl)cc1
InChIInChI=1S/2C15H15BrN4O2.2C15H15ClN4O2.C11H15ClN2O2.C11H14N2O2.C8H11NO/c2*1-22-12-4-2-11(3-5-12)10-19-8-9-20(15(19)21)14-17-7-6-13(16)18-14;1-22-12-4-2-11(3-5-12)10-19-8-9-20(15(19)21)13-6-7-17-14(16)18-13;1-22-12-4-2-11(3-5-12)10-19-8-9-20(15(19)21)14-17-7-6-13(16)18-14;1-16-10-4-2-9(3-5-10)8-14-11(15)13-7-6-12;1-15-10-4-2-9(3-5-10)8-13-7-6-12-11(13)14;1-10-8-4-2-7(6-9)3-5-8/h4*2-7H,8-10H2,1H3;2-5H,6-8H2,1H3,(H2,13,14,15);2-5H,6-8H2,1H3,(H,12,14);2-5H,6,9H2,1H3
InChIKeyRPKZQLNGKXZVIA-UHFFFAOYSA-N
XLogP14.65
TPSA361.42 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds26
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001950.09
LogP ≤ 514.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one with MolForge

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Related Compounds

2-amino-9-[(4-methoxyphenyl)methyl]-7-prop-2-ynylpurin-8-one;2-amino-7-[(4-methoxyphenyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-7-prop-2-ynyl-9H-purin-8-one;3-bromoprop-1-yne;6-chloro-4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4,5-triamine;4-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4,5-triamine;N-(8-oxo-7-prop-2-ynyl-9H-purin-2-yl)acetamide
CID 158495696
1-(2-Bromopyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one
CID 161024047
1-(2-bromopyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;N-(2-chloroethyl)-3-(4-methoxyphenyl)propanamide;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one
CID 162132979
8'-chloro-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-chloro-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;deuterio(fluoro)methane;8'-isocyano-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8'-methoxy-2'-[(4-methoxyphenyl)methyl]-6'-[(4-methoxyphenyl)methyl-pyrimidin-4-ylamino]spiro[cyclohexane-1,3'-imidazo[1,5-a]pyridine]-1',5'-dione;8-(oxetan-2-yl)-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione
CID 163536755

Frequently Asked Questions

What is the IUPAC name of bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one?
The IUPAC name of bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one (CID 160691296) is bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one?
The canonical SMILES for bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one is COc1ccc(CN)cc1.COc1ccc(CN2CCN(c3ccnc(Cl)n3)C2=O)cc1.COc1ccc(CN2CCN(c3nccc(Br)n3)C2=O)cc1.COc1ccc(CN2CCN(c3nccc(Br)n3)C2=O)cc1.COc1ccc(CN2CCN(c3nccc(Cl)n3)C2=O)cc1.COc1ccc(CN2CCNC2=O)cc1.COc1ccc(CNC(=O)NCCCl)cc1.
What is the InChIKey of bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one?
The InChIKey is RPKZQLNGKXZVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H15BrN4O2.2C15H15ClN4O2.C11H15ClN2O2.C11H14N2O2.C8H11NO/c2*1-22-12-4-2-11(3-5-12)10-19-8-9-20(15(19)21)14-17-7-6-13(16)18-14;1-22-12-4-2-11(3-5-12)10-19-8-9-20(15(19)21)13-6-7-17-14(16)18-13;1-22-12-4-2-11(3-5-12)10-19-8-9-20(15(19)21)14-17-7-6-13(16)18-14;1-16-10-4-2-9(3-5-10)8-14-11(15)13-7-6-12;1-15-10-4-2-9(3-5-10)8-13-7-6-12-11(13)14;1-10-8-4-2-7(6-9)3-5-8/h4*2-7H,8-10H2,1H3;2-5H,6-8H2,1H3,(H2,13,14,15);2-5H,6-8H2,1H3,(H,12,14);2-5H,6,9H2,1H3.
What are the key properties of bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one?
bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one has a molecular weight of 1950.09 g/mol, XLogP of 14.65, 26 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-(4-bromopyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one);1-(2-chloroethyl)-3-[(4-methoxyphenyl)methyl]urea;1-(2-chloropyrimidin-4-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;1-(4-chloropyrimidin-2-yl)-3-[(4-methoxyphenyl)methyl]imidazolidin-2-one;(4-methoxyphenyl)methanamine;1-[(4-methoxyphenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 160691296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).