1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane

C59H69Cl3N18O4 — CID 159616705

IUPAC1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane
SMILESC.CCC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.CCCC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.COCC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1
InChIInChI=1S/C20H23ClN6O.C19H21ClN6O2.C19H21ClN6O.CH4/c1-3-6-17(28)26-9-11-27(12-10-26)20-22-13-14(21)18(24-20)19-23-15-7-4-5-8-16(15)25(19)2;1-24-15-6-4-3-5-14(15)22-18(24)17-13(20)11-21-19(23-17)26-9-7-25(8-10-26)16(27)12-28-2;1-3-16(27)25-8-10-26(11-9-25)19-21-12-13(20)17(23-19)18-22-14-6-4-5-7-15(14)24(18)2;/h4-5,7-8,13H,3,6,9-12H2,1-2H3;3-6,11H,7-10,12H2,1-2H3;4-7,12H,3,8-11H2,1-2H3;1H4
InChIKeyMNJLWBZAHIKKHV-UHFFFAOYSA-N
MW1200.68 g/mol
LogP8.49
Rot. Bonds11

About 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane

1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane (PubChem CID 159616705) has the molecular formula C59H69Cl3N18O4 and a molecular weight of 1200.68 g/mol. Its IUPAC name is 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane.

Molecular Properties

Compound Name1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane
PubChem CID159616705
Molecular FormulaC59H69Cl3N18O4
Molecular Weight1200.68 g/mol
Exact Mass1198.48
IUPAC Name1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane
SMILESC.CCC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.CCCC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.COCC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1
InChIInChI=1S/C20H23ClN6O.C19H21ClN6O2.C19H21ClN6O.CH4/c1-3-6-17(28)26-9-11-27(12-10-26)20-22-13-14(21)18(24-20)19-23-15-7-4-5-8-16(15)25(19)2;1-24-15-6-4-3-5-14(15)22-18(24)17-13(20)11-21-19(23-17)26-9-7-25(8-10-26)16(27)12-28-2;1-3-16(27)25-8-10-26(11-9-25)19-21-12-13(20)17(23-19)18-22-14-6-4-5-7-15(14)24(18)2;/h4-5,7-8,13H,3,6,9-12H2,1-2H3;3-6,11H,7-10,12H2,1-2H3;4-7,12H,3,8-11H2,1-2H3;1H4
InChIKeyMNJLWBZAHIKKHV-UHFFFAOYSA-N
XLogP8.49
TPSA210.68 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds11
Heavy Atoms84
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001200.68
LogP ≤ 58.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane with MolForge

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Related Compounds

[2-(2-Ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]-(4-pyridin-3-ylpiperazin-1-yl)methanone
CID 59605287
[2-(2-Ethylbenzimidazol-1-yl)-9-methyl-6-morpholin-4-ylpurin-8-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 59605772
1-[4-[5-Chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone
CID 67971227
1-[4-[5-Chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-hydroxyethanone
CID 67971508
Ethyl 4-(6-amino-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate;ethyl 4-(6-chloro-2-pyridin-2-ylimidazo[4,5-b]pyridin-3-yl)piperidine-1-carboxylate;methane
CID 157843582
1-(6-chloropyrazin-2-yl)-5,6-difluoro-2-methylbenzimidazole;6-chloropyridin-3-amine;N-(6-chloro-3-pyridinyl)-6-(5,6-difluoro-2-methylbenzimidazol-1-yl)pyrazin-2-amine;6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-(6-morpholin-4-yl-3-pyridinyl)pyrazin-2-amine;methane;morpholine
CID 157977923
1-[4-[5-Chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]ethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;2-[5-chloro-2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]-1-methylbenzimidazole;1-[4-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]ethanone;1-[4-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methyl 4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate;methyl 4-[4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazine-1-carboxylate;1-methyl-2-[2-(4-methylsulfonylpiperazin-1-yl)pyrimidin-4-yl]benzimidazole
CID 158618514
4-(6-amino-3-pyridinyl)morpholin-3-one;5-(2-chloropyrimidin-4-yl)-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;4-[6-[[4-(3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
CID 167621080
4-(6-Amino-3-pyridinyl)morpholin-3-one;6-(2-chloropyrimidin-4-yl)-4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridine;4-[6-[[4-(4-fluoro-1-propan-2-ylimidazo[4,5-c]pyridin-6-yl)pyrimidin-2-yl]amino]-3-pyridinyl]morpholin-3-one
CID 167652100

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane?
The IUPAC name of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane (CID 159616705) is 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane.
What is the SMILES notation for 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane?
The canonical SMILES for 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane is C.CCC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.CCCC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.COCC(=O)N1CCN(c2ncc(Cl)c(-c3nc4ccccc4n3C)n2)CC1.
What is the InChIKey of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane?
The InChIKey is MNJLWBZAHIKKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O.C19H21ClN6O2.C19H21ClN6O.CH4/c1-3-6-17(28)26-9-11-27(12-10-26)20-22-13-14(21)18(24-20)19-23-15-7-4-5-8-16(15)25(19)2;1-24-15-6-4-3-5-14(15)22-18(24)17-13(20)11-21-19(23-17)26-9-7-25(8-10-26)16(27)12-28-2;1-3-16(27)25-8-10-26(11-9-25)19-21-12-13(20)17(23-19)18-22-14-6-4-5-7-15(14)24(18)2;/h4-5,7-8,13H,3,6,9-12H2,1-2H3;3-6,11H,7-10,12H2,1-2H3;4-7,12H,3,8-11H2,1-2H3;1H4.
What are the key properties of 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane?
1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane has a molecular weight of 1200.68 g/mol, XLogP of 8.49, 11 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]butan-1-one;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]-2-methoxyethanone;1-[4-[5-chloro-4-(1-methylbenzimidazol-2-yl)pyrimidin-2-yl]piperazin-1-yl]propan-1-one;methane is sourced from PubChem (CID 159616705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).