1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

C62H56F10N16O3 — CID 157255986

IUPAC1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCn1c(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)nc2ccccc21.O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2.O=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2
InChIInChI=1S/C21H18F4N6O.C21H20F3N5O.C20H18F3N5O/c22-16-3-1-2-15(19(16)31-28-6-7-29-31)20(32)30-14-4-5-17(30)12(9-14)8-13-10-27-18(11-26-13)21(23,24)25;1-28-17-5-3-2-4-15(17)27-19(28)20(30)29-14-6-7-16(29)12(9-14)8-13-10-26-18(11-25-13)21(22,23)24;21-20(22,23)17-10-24-12(9-25-17)7-11-8-13-5-6-16(11)28(13)19(29)18-26-14-3-1-2-4-15(14)27-18/h1-3,6-7,10-12,14,17H,4-5,8-9H2;2-5,10-12,14,16H,6-9H2,1H3;1-4,9-11,13,16H,5-8H2,(H,26,27)
InChIKeyAWWZNSOAIUTDAF-UHFFFAOYSA-N
MW1263.22 g/mol
LogP10.68
Rot. Bonds10

About 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone

1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (PubChem CID 157255986) has the molecular formula C62H56F10N16O3 and a molecular weight of 1263.22 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
PubChem CID157255986
Molecular FormulaC62H56F10N16O3
Molecular Weight1263.22 g/mol
Exact Mass1262.46
IUPAC Name1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone
SMILESCn1c(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)nc2ccccc21.O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2.O=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2
InChIInChI=1S/C21H18F4N6O.C21H20F3N5O.C20H18F3N5O/c22-16-3-1-2-15(19(16)31-28-6-7-29-31)20(32)30-14-4-5-17(30)12(9-14)8-13-10-27-18(11-26-13)21(23,24)25;1-28-17-5-3-2-4-15(17)27-19(28)20(30)29-14-6-7-16(29)12(9-14)8-13-10-26-18(11-25-13)21(22,23)24;21-20(22,23)17-10-24-12(9-25-17)7-11-8-13-5-6-16(11)28(13)19(29)18-26-14-3-1-2-4-15(14)27-18/h1-3,6-7,10-12,14,17H,4-5,8-9H2;2-5,10-12,14,16H,6-9H2,1H3;1-4,9-11,13,16H,5-8H2,(H,26,27)
InChIKeyAWWZNSOAIUTDAF-UHFFFAOYSA-N
XLogP10.68
TPSA215.48 Ų
H-Bond Donors1
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001263.22
LogP ≤ 510.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1015

Analyze 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(6-(1-(1-(1H-imidazole-4-carbonyl)piperidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)imidazo(1,2-b]pyridazin-2-yl)-2-fluoroisonicotinamide
CID 118538686
US11071730, Example 161
CID 146639989
US9732075, Example 6.115
CID 118127471
N-[(1R)-1-phenylethyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]benzamide
CID 168328347
4-[1-(2,4-difluorobenzoyl)piperidin-4-yl]-3-[4-[2-(4-imidazol-1-ylanilino)pyrimidin-4-yl]pyrazol-1-yl]butanenitrile;3-[3-(dimethylamino)propylamino]-N-[6-methyl-5-(9H-pyrimido[4,5-b]indol-7-yl)-3-pyridinyl]-5-(trifluoromethyl)benzamide
CID 89905037
N-[(2S)-1-[(1S,4S)-5-(1H-benzimidazole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1-[[1-[(2S)-5-[(1S,4S)-5-(1H-benzimidazole-2-carbonyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-methyl-5-oxopentyl]indole-2-carbonyl]amino]-5,7-difluoroindole-2-carboxamide
CID 91068867
1-[2-[4-fluoro-2-[[1-(6-fluoro-1H-benzimidazol-2-yl)-4-methylcyclohexyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindazole-3-carboxamide
CID 118334459
1-[2-[4-fluoro-2-[[2-(3-methylphenyl)-1H-benzimidazol-4-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-pyridazin-4-ylindole-3-carboxamide
CID 118334533
[6-[4-[[2-[2-(3,3-difluoroazetidine-1-carbonyl)-3-methylbenzimidazol-5-yl]-6-[4-(1H-pyrazol-4-yl)anilino]pyrimidin-4-yl]methyl-[5-(1H-pyrazol-4-yl)-2-pyridinyl]amino]pyrimidin-2-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 137387441
[6-[5-[4-[1-[2-[[2-[2-(3,3-difluoroazetidine-1-carbonyl)imidazo[1,2-a]pyridin-7-yl]pyrimidin-4-yl]amino]-5-(1H-pyrazol-4-yl)phenyl]pyrazol-4-yl]anilino]-1,2,4-triazin-3-yl]-1-methylindol-2-yl]-(3,3-difluoroazetidin-1-yl)methanone
CID 137387443
6-[4-[[2-[6-(1H-indazol-5-ylamino)-2-[2-[[3-(trifluoromethyl)pyridin-4-yl]carbamoyl]-1H-indol-6-yl]pyrimidin-4-yl]-6-(1H-pyrazol-4-yl)pyridin-3-yl]amino]pyrimidin-2-yl]-N,N-dimethyl-1H-indole-2-carboxamide
CID 137387712
3,5-difluoro-N-[3-[2-(1H-imidazol-5-yl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-[3-(2-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-2-[[3-(trifluoromethyl)benzoyl]amino]benzamide
CID 140143024

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone (CID 157255986) is 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is Cn1c(C(=O)N2C3CCC2C(Cc2cnc(C(F)(F)F)cn2)C3)nc2ccccc21.O=C(c1cccc(F)c1-n1nccn1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2.O=C(c1nc2ccccc2[nH]1)N1C2CCC1C(Cc1cnc(C(F)(F)F)cn1)C2.
What is the InChIKey of 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
The InChIKey is AWWZNSOAIUTDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F4N6O.C21H20F3N5O.C20H18F3N5O/c22-16-3-1-2-15(19(16)31-28-6-7-29-31)20(32)30-14-4-5-17(30)12(9-14)8-13-10-27-18(11-26-13)21(23,24)25;1-28-17-5-3-2-4-15(17)27-19(28)20(30)29-14-6-7-16(29)12(9-14)8-13-10-26-18(11-25-13)21(22,23)24;21-20(22,23)17-10-24-12(9-25-17)7-11-8-13-5-6-16(11)28(13)19(29)18-26-14-3-1-2-4-15(14)27-18/h1-3,6-7,10-12,14,17H,4-5,8-9H2;2-5,10-12,14,16H,6-9H2,1H3;1-4,9-11,13,16H,5-8H2,(H,26,27).
What are the key properties of 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone?
1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone has a molecular weight of 1263.22 g/mol, XLogP of 10.68, 10 rotatable bonds, 1 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;[3-fluoro-2-(triazol-2-yl)phenyl]-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone;(1-methylbenzimidazol-2-yl)-[2-[[5-(trifluoromethyl)pyrazin-2-yl]methyl]-7-azabicyclo[2.2.1]heptan-7-yl]methanone is sourced from PubChem (CID 157255986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).