1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one

C139H186N18O12 — CID 159529807

IUPAC1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one
SMILESCC(C)C(=O)Cn1c(=O)n(CCN2CCCCC2)c2ccccc21.CN(C)CCn1c(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21.CNCCn1c(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21.O=C(Cn1c(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21)N1CCCCC1.O=C(Cn1c(=O)n(CCN2CCCC2)c2ccccc21)C12CC3CC(CC(C3)C1)C2.O=c1n(CCN2CCCCC2)c2ccccc2n1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H33N3O3.C25H33N3O2.C24H33N3O.C23H31N3O2.C22H29N3O2.C19H27N3O2/c30-23(26-13-18-10-19(14-26)12-20(11-18)15-26)16-28-21-6-2-3-7-22(21)29(25(28)32)17-24(31)27-8-4-1-5-9-27;29-23(25-14-18-11-19(15-25)13-20(12-18)16-25)17-28-22-6-2-1-5-21(22)27(24(28)30)10-9-26-7-3-4-8-26;28-23-26(11-10-25-8-4-1-5-9-25)21-6-2-3-7-22(21)27(23)24-15-18-12-19(16-24)14-20(13-18)17-24;1-24(2)7-8-25-19-5-3-4-6-20(19)26(22(25)28)15-21(27)23-12-16-9-17(13-23)11-18(10-16)14-23;1-23-6-7-24-18-4-2-3-5-19(18)25(21(24)27)14-20(26)22-11-15-8-16(12-22)10-17(9-15)13-22;1-15(2)18(23)14-22-17-9-5-4-8-16(17)21(19(22)24)13-12-20-10-6-3-7-11-20/h2-3,6-7,18-20H,1,4-5,8-17H2;1-2,5-6,18-20H,3-4,7-17H2;2-3,6-7,18-20H,1,4-5,8-17H2;3-6,16-18H,7-15H2,1-2H3;2-5,15-17,23H,6-14H2,1H3;4-5,8-9,15H,3,6-7,10-14H2,1-2H3
InChIKeyMCVQQEKECRQUNE-UHFFFAOYSA-N
MW2301.13 g/mol
LogP19.97
Rot. Bonds33

About 1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one

1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one (PubChem CID 159529807) has the molecular formula C139H186N18O12 and a molecular weight of 2301.13 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one
PubChem CID159529807
Molecular FormulaC139H186N18O12
Molecular Weight2301.13 g/mol
Exact Mass2299.45
IUPAC Name1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one
SMILESCC(C)C(=O)Cn1c(=O)n(CCN2CCCCC2)c2ccccc21.CN(C)CCn1c(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21.CNCCn1c(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21.O=C(Cn1c(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21)N1CCCCC1.O=C(Cn1c(=O)n(CCN2CCCC2)c2ccccc21)C12CC3CC(CC(C3)C1)C2.O=c1n(CCN2CCCCC2)c2ccccc2n1C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C26H33N3O3.C25H33N3O2.C24H33N3O.C23H31N3O2.C22H29N3O2.C19H27N3O2/c30-23(26-13-18-10-19(14-26)12-20(11-18)15-26)16-28-21-6-2-3-7-22(21)29(25(28)32)17-24(31)27-8-4-1-5-9-27;29-23(25-14-18-11-19(15-25)13-20(12-18)16-25)17-28-22-6-2-1-5-21(22)27(24(28)30)10-9-26-7-3-4-8-26;28-23-26(11-10-25-8-4-1-5-9-25)21-6-2-3-7-22(21)27(23)24-15-18-12-19(16-24)14-20(13-18)17-24;1-24(2)7-8-25-19-5-3-4-6-20(19)26(22(25)28)15-21(27)23-12-16-9-17(13-23)11-18(10-16)14-23;1-23-6-7-24-18-4-2-3-5-19(18)25(21(24)27)14-20(26)22-11-15-8-16(12-22)10-17(9-15)13-22;1-15(2)18(23)14-22-17-9-5-4-8-16(17)21(19(22)24)13-12-20-10-6-3-7-11-20/h2-3,6-7,18-20H,1,4-5,8-17H2;1-2,5-6,18-20H,3-4,7-17H2;2-3,6-7,18-20H,1,4-5,8-17H2;3-6,16-18H,7-15H2,1-2H3;2-5,15-17,23H,6-14H2,1H3;4-5,8-9,15H,3,6-7,10-14H2,1-2H3
InChIKeyMCVQQEKECRQUNE-UHFFFAOYSA-N
XLogP19.97
TPSA292.23 Ų
H-Bond Donors1
H-Bond Acceptors29
Rotatable Bonds33
Heavy Atoms169
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002301.13
LogP ≤ 519.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1029

Analyze 1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one?
The IUPAC name of 1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one (CID 159529807) is 1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one.
What is the SMILES notation for 1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one?
The canonical SMILES for 1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one is CC(C)C(=O)Cn1c(=O)n(CCN2CCCCC2)c2ccccc21.CN(C)CCn1c(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21.CNCCn1c(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21.O=C(Cn1c(=O)n(CC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21)N1CCCCC1.O=C(Cn1c(=O)n(CCN2CCCC2)c2ccccc21)C12CC3CC(CC(C3)C1)C2.O=c1n(CCN2CCCCC2)c2ccccc2n1C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one?
The InChIKey is MCVQQEKECRQUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O3.C25H33N3O2.C24H33N3O.C23H31N3O2.C22H29N3O2.C19H27N3O2/c30-23(26-13-18-10-19(14-26)12-20(11-18)15-26)16-28-21-6-2-3-7-22(21)29(25(28)32)17-24(31)27-8-4-1-5-9-27;29-23(25-14-18-11-19(15-25)13-20(12-18)16-25)17-28-22-6-2-1-5-21(22)27(24(28)30)10-9-26-7-3-4-8-26;28-23-26(11-10-25-8-4-1-5-9-25)21-6-2-3-7-22(21)27(23)24-15-18-12-19(16-24)14-20(13-18)17-24;1-24(2)7-8-25-19-5-3-4-6-20(19)26(22(25)28)15-21(27)23-12-16-9-17(13-23)11-18(10-16)14-23;1-23-6-7-24-18-4-2-3-5-19(18)25(21(24)27)14-20(26)22-11-15-8-16(12-22)10-17(9-15)13-22;1-15(2)18(23)14-22-17-9-5-4-8-16(17)21(19(22)24)13-12-20-10-6-3-7-11-20/h2-3,6-7,18-20H,1,4-5,8-17H2;1-2,5-6,18-20H,3-4,7-17H2;2-3,6-7,18-20H,1,4-5,8-17H2;3-6,16-18H,7-15H2,1-2H3;2-5,15-17,23H,6-14H2,1H3;4-5,8-9,15H,3,6-7,10-14H2,1-2H3.
What are the key properties of 1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one?
1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one has a molecular weight of 2301.13 g/mol, XLogP of 19.97, 33 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(dimethylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-[2-(methylamino)ethyl]benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-one;1-[2-(1-adamantyl)-2-oxoethyl]-3-(2-pyrrolidin-1-ylethyl)benzimidazol-2-one;1-(1-adamantyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one;1-(3-methyl-2-oxobutyl)-3-(2-piperidin-1-ylethyl)benzimidazol-2-one is sourced from PubChem (CID 159529807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).