3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide

C114H106N18O14S — CID 158661500

IUPAC3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)c1.COc1cc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)cc(OC)c1OC.COc1ccc(C(=O)Nc2ccccc2-c2cn3cc(CN4CCNCC4)sc3n2)cc1OC.COc1ccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)c(OC)c1.COc1ccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)cc1OC
InChIInChI=1S/C25H27N5O3S.C23H21N3O4.C22H20N4O.2C22H19N3O3/c1-32-22-8-7-17(13-23(22)33-2)24(31)27-20-6-4-3-5-19(20)21-16-30-15-18(34-25(30)28-21)14-29-11-9-26-10-12-29;1-28-19-12-15(13-20(29-2)22(19)30-3)23(27)25-17-9-5-4-8-16(17)18-14-26-11-7-6-10-21(26)24-18;1-25(2)17-9-7-8-16(14-17)22(27)24-19-11-4-3-10-18(19)20-15-26-13-6-5-12-21(26)23-20;1-27-15-10-11-17(20(13-15)28-2)22(26)24-18-8-4-3-7-16(18)19-14-25-12-6-5-9-21(25)23-19;1-27-19-11-10-15(13-20(19)28-2)22(26)24-17-8-4-3-7-16(17)18-14-25-12-6-5-9-21(25)23-18/h3-8,13,15-16,26H,9-12,14H2,1-2H3,(H,27,31);4-14H,1-3H3,(H,25,27);3-15H,1-2H3,(H,24,27);2*3-14H,1-2H3,(H,24,26)
InChIKeyICUVCAFNQMFFKP-UHFFFAOYSA-N
MW1984.28 g/mol
LogP20.88
Rot. Bonds27

About 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide

3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide (PubChem CID 158661500) has the molecular formula C114H106N18O14S and a molecular weight of 1984.28 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide
PubChem CID158661500
Molecular FormulaC114H106N18O14S
Molecular Weight1984.28 g/mol
Exact Mass1982.79
IUPAC Name3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide
SMILESCN(C)c1cccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)c1.COc1cc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)cc(OC)c1OC.COc1ccc(C(=O)Nc2ccccc2-c2cn3cc(CN4CCNCC4)sc3n2)cc1OC.COc1ccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)c(OC)c1.COc1ccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)cc1OC
InChIInChI=1S/C25H27N5O3S.C23H21N3O4.C22H20N4O.2C22H19N3O3/c1-32-22-8-7-17(13-23(22)33-2)24(31)27-20-6-4-3-5-19(20)21-16-30-15-18(34-25(30)28-21)14-29-11-9-26-10-12-29;1-28-19-12-15(13-20(29-2)22(19)30-3)23(27)25-17-9-5-4-8-16(17)18-14-26-11-7-6-10-21(26)24-18;1-25(2)17-9-7-8-16(14-17)22(27)24-19-11-4-3-10-18(19)20-15-26-13-6-5-12-21(26)23-20;1-27-15-10-11-17(20(13-15)28-2)22(26)24-18-8-4-3-7-16(18)19-14-25-12-6-5-9-21(25)23-19;1-27-19-11-10-15(13-20(19)28-2)22(26)24-17-8-4-3-7-16(17)18-14-25-12-6-5-9-21(25)23-18/h3-8,13,15-16,26H,9-12,14H2,1-2H3,(H,27,31);4-14H,1-3H3,(H,25,27);3-15H,1-2H3,(H,24,27);2*3-14H,1-2H3,(H,24,26)
InChIKeyICUVCAFNQMFFKP-UHFFFAOYSA-N
XLogP20.88
TPSA333.58 Ų
H-Bond Donors6
H-Bond Acceptors28
Rotatable Bonds27
Heavy Atoms147
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001984.28
LogP ≤ 520.88
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1028

Analyze 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide (CID 158661500) is 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide is CN(C)c1cccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)c1.COc1cc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)cc(OC)c1OC.COc1ccc(C(=O)Nc2ccccc2-c2cn3cc(CN4CCNCC4)sc3n2)cc1OC.COc1ccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)c(OC)c1.COc1ccc(C(=O)Nc2ccccc2-c2cn3ccccc3n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide?
The InChIKey is ICUVCAFNQMFFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3S.C23H21N3O4.C22H20N4O.2C22H19N3O3/c1-32-22-8-7-17(13-23(22)33-2)24(31)27-20-6-4-3-5-19(20)21-16-30-15-18(34-25(30)28-21)14-29-11-9-26-10-12-29;1-28-19-12-15(13-20(29-2)22(19)30-3)23(27)25-17-9-5-4-8-16(17)18-14-26-11-7-6-10-21(26)24-18;1-25(2)17-9-7-8-16(14-17)22(27)24-19-11-4-3-10-18(19)20-15-26-13-6-5-12-21(26)23-20;1-27-15-10-11-17(20(13-15)28-2)22(26)24-18-8-4-3-7-16(18)19-14-25-12-6-5-9-21(25)23-19;1-27-19-11-10-15(13-20(19)28-2)22(26)24-17-8-4-3-7-16(17)18-14-25-12-6-5-9-21(25)23-18/h3-8,13,15-16,26H,9-12,14H2,1-2H3,(H,27,31);4-14H,1-3H3,(H,25,27);3-15H,1-2H3,(H,24,27);2*3-14H,1-2H3,(H,24,26).
What are the key properties of 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide?
3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide has a molecular weight of 1984.28 g/mol, XLogP of 20.88, 27 rotatable bonds, 6 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[2-(piperazin-1-ylmethyl)imidazo[2,1-b][1,3]thiazol-6-yl]phenyl]benzamide;3-(dimethylamino)-N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)benzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-2,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4-dimethoxybenzamide;N-(2-imidazo[1,2-a]pyridin-2-ylphenyl)-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 158661500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).