3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one

C124H173N21O16 — CID 160672344

IUPAC3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one
SMILESC#Cc1ccc2c(c1)n(CC1CCC(C(=O)N3CCN(C(=C)C)CC3)CC1)c(=O)n2C.C=C(C)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(C5CC5)cc43)CC2)CC1.C=C(C)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(OCCOC)cc43)CC2)CC1.CC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(O)cc43)CC2)CC1.COCCNc1ccc2c(c1)n(CC1CCC(C(=O)N3CCN(C(C)=O)CC3)CC1)c(=O)n2C
InChIInChI=1S/C26H38N4O4.C26H36N4O2.C25H37N5O4.C25H32N4O2.C22H30N4O4/c1-19(2)28-11-13-29(14-12-28)25(31)21-7-5-20(6-8-21)18-30-24-17-22(34-16-15-33-4)9-10-23(24)27(3)26(30)32;1-18(2)28-12-14-29(15-13-28)25(31)21-6-4-19(5-7-21)17-30-24-16-22(20-8-9-20)10-11-23(24)27(3)26(30)32;1-18(31)28-11-13-29(14-12-28)24(32)20-6-4-19(5-7-20)17-30-23-16-21(26-10-15-34-3)8-9-22(23)27(2)25(30)33;1-5-19-8-11-22-23(16-19)29(25(31)26(22)4)17-20-6-9-21(10-7-20)24(30)28-14-12-27(13-15-28)18(2)3;1-15(27)24-9-11-25(12-10-24)21(29)17-5-3-16(4-6-17)14-26-20-13-18(28)7-8-19(20)23(2)22(26)30/h9-10,17,20-21H,1,5-8,11-16,18H2,2-4H3;10-11,16,19-21H,1,4-9,12-15,17H2,2-3H3;8-9,16,19-20,26H,4-7,10-15,17H2,1-3H3;1,8,11,16,20-21H,2,6-7,9-10,12-15,17H2,3-4H3;7-8,13,16-17,28H,3-6,9-12,14H2,1-2H3
InChIKeyRNBXIWIHNBUPKE-UHFFFAOYSA-N
MW2213.88 g/mol
LogP12.79
Rot. Bonds27

About 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one

3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one (PubChem CID 160672344) has the molecular formula C124H173N21O16 and a molecular weight of 2213.88 g/mol. Its IUPAC name is 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one.

Molecular Properties

Compound Name3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one
PubChem CID160672344
Molecular FormulaC124H173N21O16
Molecular Weight2213.88 g/mol
Exact Mass2212.34
IUPAC Name3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one
SMILESC#Cc1ccc2c(c1)n(CC1CCC(C(=O)N3CCN(C(=C)C)CC3)CC1)c(=O)n2C.C=C(C)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(C5CC5)cc43)CC2)CC1.C=C(C)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(OCCOC)cc43)CC2)CC1.CC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(O)cc43)CC2)CC1.COCCNc1ccc2c(c1)n(CC1CCC(C(=O)N3CCN(C(C)=O)CC3)CC1)c(=O)n2C
InChIInChI=1S/C26H38N4O4.C26H36N4O2.C25H37N5O4.C25H32N4O2.C22H30N4O4/c1-19(2)28-11-13-29(14-12-28)25(31)21-7-5-20(6-8-21)18-30-24-17-22(34-16-15-33-4)9-10-23(24)27(3)26(30)32;1-18(2)28-12-14-29(15-13-28)25(31)21-6-4-19(5-7-21)17-30-24-16-22(20-8-9-20)10-11-23(24)27(3)26(30)32;1-18(31)28-11-13-29(14-12-28)24(32)20-6-4-19(5-7-20)17-30-23-16-21(26-10-15-34-3)8-9-22(23)27(2)25(30)33;1-5-19-8-11-22-23(16-19)29(25(31)26(22)4)17-20-6-9-21(10-7-20)24(30)28-14-12-27(13-15-28)18(2)3;1-15(27)24-9-11-25(12-10-24)21(29)17-5-3-16(4-6-17)14-26-20-13-18(28)7-8-19(20)23(2)22(26)30/h9-10,17,20-21H,1,5-8,11-16,18H2,2-4H3;10-11,16,19-21H,1,4-9,12-15,17H2,2-3H3;8-9,16,19-20,26H,4-7,10-15,17H2,1-3H3;1,8,11,16,20-21H,2,6-7,9-10,12-15,17H2,3-4H3;7-8,13,16-17,28H,3-6,9-12,14H2,1-2H3
InChIKeyRNBXIWIHNBUPKE-UHFFFAOYSA-N
XLogP12.79
TPSA346.49 Ų
H-Bond Donors2
H-Bond Acceptors30
Rotatable Bonds27
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002213.88
LogP ≤ 512.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one with MolForge

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Related Compounds

3-[4-(Tert-butylamino)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-(4-tert-butyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;3-[4-(3,3-dimethylbut-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[4-(2,2-dimethylpropyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-4-[(2-methylpropan-2-yl)oxy]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;3-[3-methyl-5-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 162207788

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one?
The IUPAC name of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one (CID 160672344) is 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one.
What is the SMILES notation for 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one?
The canonical SMILES for 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one is C#Cc1ccc2c(c1)n(CC1CCC(C(=O)N3CCN(C(=C)C)CC3)CC1)c(=O)n2C.C=C(C)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(C5CC5)cc43)CC2)CC1.C=C(C)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(OCCOC)cc43)CC2)CC1.CC(=O)N1CCN(C(=O)C2CCC(Cn3c(=O)n(C)c4ccc(O)cc43)CC2)CC1.COCCNc1ccc2c(c1)n(CC1CCC(C(=O)N3CCN(C(C)=O)CC3)CC1)c(=O)n2C.
What is the InChIKey of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one?
The InChIKey is RNBXIWIHNBUPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N4O4.C26H36N4O2.C25H37N5O4.C25H32N4O2.C22H30N4O4/c1-19(2)28-11-13-29(14-12-28)25(31)21-7-5-20(6-8-21)18-30-24-17-22(34-16-15-33-4)9-10-23(24)27(3)26(30)32;1-18(2)28-12-14-29(15-13-28)25(31)21-6-4-19(5-7-21)17-30-24-16-22(20-8-9-20)10-11-23(24)27(3)26(30)32;1-18(31)28-11-13-29(14-12-28)24(32)20-6-4-19(5-7-20)17-30-23-16-21(26-10-15-34-3)8-9-22(23)27(2)25(30)33;1-5-19-8-11-22-23(16-19)29(25(31)26(22)4)17-20-6-9-21(10-7-20)24(30)28-14-12-27(13-15-28)18(2)3;1-15(27)24-9-11-25(12-10-24)21(29)17-5-3-16(4-6-17)14-26-20-13-18(28)7-8-19(20)23(2)22(26)30/h9-10,17,20-21H,1,5-8,11-16,18H2,2-4H3;10-11,16,19-21H,1,4-9,12-15,17H2,2-3H3;8-9,16,19-20,26H,4-7,10-15,17H2,1-3H3;1,8,11,16,20-21H,2,6-7,9-10,12-15,17H2,3-4H3;7-8,13,16-17,28H,3-6,9-12,14H2,1-2H3.
What are the key properties of 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one?
3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one has a molecular weight of 2213.88 g/mol, XLogP of 12.79, 27 rotatable bonds, 2 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-hydroxy-1-methylbenzimidazol-2-one;3-[[4-(4-acetylpiperazine-1-carbonyl)cyclohexyl]methyl]-5-(2-methoxyethylamino)-1-methylbenzimidazol-2-one;5-cyclopropyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-ethynyl-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one;5-(2-methoxyethoxy)-1-methyl-3-[[4-(4-prop-1-en-2-ylpiperazine-1-carbonyl)cyclohexyl]methyl]benzimidazol-2-one is sourced from PubChem (CID 160672344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).