3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen

C37H45F3N8O4S — CID 164567604

IUPAC3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C3CCN(CC4CCCCC4)CC3)c21.O=C(Nc1ccc2[nH]ncc2c1)c1nc(C(F)(F)F)cs1.[H][H].[H][H]
InChIInChI=1S/C25H34N4O3.C12H7F3N4OS.2H2/c1-27-23-19(18-12-14-28(15-13-18)16-17-6-3-2-4-7-17)8-5-9-20(23)29(25(27)32)21-10-11-22(30)26-24(21)31;13-12(14,15)9-5-21-11(18-9)10(20)17-7-1-2-8-6(3-7)4-16-19-8;;/h5,8-9,17-18,21H,2-4,6-7,10-16H2,1H3,(H,26,30,31);1-5H,(H,16,19)(H,17,20);2*1H
InChIKeyYTHFZJJIZXFJFB-UHFFFAOYSA-N
MW754.88 g/mol
LogP6.86
Rot. Bonds6

About 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen

3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen (PubChem CID 164567604) has the molecular formula C37H45F3N8O4S and a molecular weight of 754.88 g/mol. Its IUPAC name is 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen
PubChem CID164567604
Molecular FormulaC37H45F3N8O4S
Molecular Weight754.88 g/mol
Exact Mass754.32
IUPAC Name3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C3CCN(CC4CCCCC4)CC3)c21.O=C(Nc1ccc2[nH]ncc2c1)c1nc(C(F)(F)F)cs1.[H][H].[H][H]
InChIInChI=1S/C25H34N4O3.C12H7F3N4OS.2H2/c1-27-23-19(18-12-14-28(15-13-18)16-17-6-3-2-4-7-17)8-5-9-20(23)29(25(27)32)21-10-11-22(30)26-24(21)31;13-12(14,15)9-5-21-11(18-9)10(20)17-7-1-2-8-6(3-7)4-16-19-8;;/h5,8-9,17-18,21H,2-4,6-7,10-16H2,1H3,(H,26,30,31);1-5H,(H,16,19)(H,17,20);2*1H
InChIKeyYTHFZJJIZXFJFB-UHFFFAOYSA-N
XLogP6.86
TPSA147.01 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.88
LogP ≤ 56.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen with MolForge

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Related Compounds

3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-5-methoxy-3-methyl-2-oxobenzimidazol-1-yl]-1-methylpiperidine-2,6-dione;N-(1H-indazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;molecular hydrogen
CID 164567820
N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]-4-hydroxycyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 169121057
N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]cyclohexyl]-6-methylsulfonylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 155751862
3-[4-[4-(cyclohexylmethyl)piperazin-1-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 164568094
N-[2-[4-[[(3R)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-(trifluoromethyl)piperazin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
CID 176641155
N-[2-[4-[[(3S,4S)-4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-fluoropiperidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-5-(trifluoromethyl)pyridazine-3-carboxamide
CID 176641094
N-[2-[4-[[3-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-methylamino]azetidin-1-yl]methyl]cyclohexyl]indazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 170087912
N-[2-[4-[[4-[1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-4-yl]piperazin-1-yl]methyl]cyclohexyl]-6-methylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 164566908
N-[2-[4-[[9-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]-3-azaspiro[5.5]undecan-3-yl]methyl]cyclohexyl]-5-(2-hydroxypropan-2-yl)-1,3-benzothiazol-6-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 156533449
3-[3-methyl-2-oxo-4-[1-[[1-[3-[4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]sulfonylphenyl]piperidin-4-yl]methyl]piperidin-4-yl]benzimidazol-1-yl]piperidine-2,6-dione
CID 171565846
N-[2-[4-[[4-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-4-yl]piperidin-1-yl]methyl]piperidin-1-yl]-5-methoxy-1,3-benzothiazol-6-yl]pyrimidine-4-carboxamide
CID 156533437
3-[3-methyl-2-oxo-4-(1-propylpiperidin-4-yl)benzimidazol-1-yl]piperidine-2,6-dione
CID 175084296

Frequently Asked Questions

What is the IUPAC name of 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen?
The IUPAC name of 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen (CID 164567604) is 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen?
The canonical SMILES for 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen is Cn1c(=O)n(C2CCC(=O)NC2=O)c2cccc(C3CCN(CC4CCCCC4)CC3)c21.O=C(Nc1ccc2[nH]ncc2c1)c1nc(C(F)(F)F)cs1.[H][H].[H][H].
What is the InChIKey of 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen?
The InChIKey is YTHFZJJIZXFJFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O3.C12H7F3N4OS.2H2/c1-27-23-19(18-12-14-28(15-13-18)16-17-6-3-2-4-7-17)8-5-9-20(23)29(25(27)32)21-10-11-22(30)26-24(21)31;13-12(14,15)9-5-21-11(18-9)10(20)17-7-1-2-8-6(3-7)4-16-19-8;;/h5,8-9,17-18,21H,2-4,6-7,10-16H2,1H3,(H,26,30,31);1-5H,(H,16,19)(H,17,20);2*1H.
What are the key properties of 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen?
3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen has a molecular weight of 754.88 g/mol, XLogP of 6.86, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[1-(cyclohexylmethyl)piperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;N-(1H-indazol-5-yl)-4-(trifluoromethyl)-1,3-thiazole-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 164567604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).