6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide

C133H139Cl2F23N14O3S — CID 157459702

IUPAC6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide
SMILESCC(C)=C(F)C12CC(C)(C1)C2.CC12CC(c3ccc(Cl)cc3)(C1)C2.CC12CC(c3cccc(C(F)(F)F)n3)(C1)C2.CC12CC(c3ccnc(C(F)(F)F)n3)(C1)C2.CC12CC(c3nc4cc(C(F)(F)F)ccc4o3)(C1)C2.CC12CC(c3nc4ccc(Cl)cc4[nH]3)(C1)C2.CC12CC(c3nc4ccc(F)cc4[nH]3)(C1)C2.CC12CC(c3nccc(C(F)(F)F)n3)(C1)C2.CCC(=O)NC12CC(C(F)(F)F)(C1)C2.CCC(=O)NC12CC(c3ccc(C(F)(F)F)cc3)(C1)C2.NC12CC(c3nc4cc(C(F)(F)F)ccc4s3)(C1)C2
InChIInChI=1S/C15H16F3NO.C14H12F3NO.C13H13ClN2.C13H11F3N2S.C13H13FN2.C12H13Cl.C12H12F3N.2C11H11F3N2.C10H15F.C9H12F3NO/c1-2-12(20)19-14-7-13(8-14,9-14)10-3-5-11(6-4-10)15(16,17)18;1-12-5-13(6-12,7-12)11-18-9-4-8(14(15,16)17)2-3-10(9)19-11;1-12-5-13(6-12,7-12)11-15-9-3-2-8(14)4-10(9)16-11;14-13(15,16)7-1-2-9-8(3-7)18-10(19-9)11-4-12(17,5-11)6-11;1-12-5-13(6-12,7-12)11-15-9-3-2-8(14)4-10(9)16-11;1-11-6-12(7-11,8-11)9-2-4-10(13)5-3-9;1-10-5-11(6-10,7-10)8-3-2-4-9(16-8)12(13,14)15;1-9-4-10(5-9,6-9)8-15-3-2-7(16-8)11(12,13)14;1-9-4-10(5-9,6-9)7-2-3-15-8(16-7)11(12,13)14;1-7(2)8(11)10-4-9(3,5-10)6-10;1-2-6(14)13-8-3-7(4-8,5-8)9(10,11)12/h3-6H,2,7-9H2,1H3,(H,19,20);2-4H,5-7H2,1H3;2-4H,5-7H2,1H3,(H,15,16);1-3H,4-6,17H2;2-4H,5-7H2,1H3,(H,15,16);2-5H,6-8H2,1H3;2-4H,5-7H2,1H3;2*2-3H,4-6H2,1H3;4-6H2,1-3H3;2-5H2,1H3,(H,13,14)
InChIKeyBTTTVAIFHRHLDD-UHFFFAOYSA-N
MW2521.60 g/mol
LogP36.58
Rot. Bonds14

About 6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide

6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide (PubChem CID 157459702) has the molecular formula C133H139Cl2F23N14O3S and a molecular weight of 2521.60 g/mol. Its IUPAC name is 6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide.

Molecular Properties

Compound Name6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide
PubChem CID157459702
Molecular FormulaC133H139Cl2F23N14O3S
Molecular Weight2521.60 g/mol
Exact Mass2518.99
IUPAC Name6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide
SMILESCC(C)=C(F)C12CC(C)(C1)C2.CC12CC(c3ccc(Cl)cc3)(C1)C2.CC12CC(c3cccc(C(F)(F)F)n3)(C1)C2.CC12CC(c3ccnc(C(F)(F)F)n3)(C1)C2.CC12CC(c3nc4cc(C(F)(F)F)ccc4o3)(C1)C2.CC12CC(c3nc4ccc(Cl)cc4[nH]3)(C1)C2.CC12CC(c3nc4ccc(F)cc4[nH]3)(C1)C2.CC12CC(c3nccc(C(F)(F)F)n3)(C1)C2.CCC(=O)NC12CC(C(F)(F)F)(C1)C2.CCC(=O)NC12CC(c3ccc(C(F)(F)F)cc3)(C1)C2.NC12CC(c3nc4cc(C(F)(F)F)ccc4s3)(C1)C2
InChIInChI=1S/C15H16F3NO.C14H12F3NO.C13H13ClN2.C13H11F3N2S.C13H13FN2.C12H13Cl.C12H12F3N.2C11H11F3N2.C10H15F.C9H12F3NO/c1-2-12(20)19-14-7-13(8-14,9-14)10-3-5-11(6-4-10)15(16,17)18;1-12-5-13(6-12,7-12)11-18-9-4-8(14(15,16)17)2-3-10(9)19-11;1-12-5-13(6-12,7-12)11-15-9-3-2-8(14)4-10(9)16-11;14-13(15,16)7-1-2-9-8(3-7)18-10(19-9)11-4-12(17,5-11)6-11;1-12-5-13(6-12,7-12)11-15-9-3-2-8(14)4-10(9)16-11;1-11-6-12(7-11,8-11)9-2-4-10(13)5-3-9;1-10-5-11(6-10,7-10)8-3-2-4-9(16-8)12(13,14)15;1-9-4-10(5-9,6-9)8-15-3-2-7(16-8)11(12,13)14;1-9-4-10(5-9,6-9)7-2-3-15-8(16-7)11(12,13)14;1-7(2)8(11)10-4-9(3,5-10)6-10;1-2-6(14)13-8-3-7(4-8,5-8)9(10,11)12/h3-6H,2,7-9H2,1H3,(H,19,20);2-4H,5-7H2,1H3;2-4H,5-7H2,1H3,(H,15,16);1-3H,4-6,17H2;2-4H,5-7H2,1H3,(H,15,16);2-5H,6-8H2,1H3;2-4H,5-7H2,1H3;2*2-3H,4-6H2,1H3;4-6H2,1-3H3;2-5H2,1H3,(H,13,14)
InChIKeyBTTTVAIFHRHLDD-UHFFFAOYSA-N
XLogP36.58
TPSA244.95 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds14
Heavy Atoms176
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002521.60
LogP ≤ 536.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide 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

2-chloro-N-[2-(4-chlorophenyl)-1-methylbenzimidazol-5-yl]-5-[(2,2-dimethylpropanoylamino)methyl]benzamide;1-[4-chloro-3-[2-[2-(5-chloro-2-pyridinyl)-3H-benzimidazol-5-yl]acetyl]phenyl]-4,4-dimethylpentan-3-one;2-(difluoromethyl)-5-[(2-methylpropanoylamino)methyl]-N-[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]pyridine-3-carboxamide;1-[6-(difluoromethyl)-5-[2-[2-[3-(trifluoromethyl)phenyl]-1,3-benzoxazol-5-yl]acetyl]-3-pyridinyl]-4-fluoro-4-methylpentan-3-one
CID 157746626
5-tert-butyl-2-(trifluoromethyl)benzonitrile;7-chloro-2-(2-methylpropyl)-1,3-benzoxazole;N-(4-chlorophenyl)-3-methylbutanamide;N-(5-chloro-2-pyridinyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;2-(2-methylpropyl)-1H-benzimidazole;2-(2-methylpropyl)-1,3-benzoxazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 158557863
5-tert-butyl-2-(trifluoromethyl)benzonitrile;N-(4-chlorophenyl)-3-methylbutanamide;N-(2-fluorophenyl)-3-methylbutanamide;N-(4-fluorophenyl)-3-methylbutanamide;5-fluoro-2-propan-2-ylbenzonitrile;3-methyl-N-(5-methyl-2-pyridinyl)butanamide;2-(2-methylpropyl)-1H-benzimidazole;2-nitro-1-propan-2-yl-4-(trifluoromethyl)benzene;4-propan-2-ylbenzonitrile;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-benzoxazole;2-propan-2-yl-5-(trifluoromethyl)benzonitrile;5-propan-2-yl-2-(trifluoromethyl)benzonitrile;2-propan-2-yl-5-(trifluoromethyl)-1,3-benzothiazole;2-propan-2-yl-5-(trifluoromethyl)pyridine;2-propan-2-yl-4-(trifluoromethyl)-1,3-thiazole
CID 159434144
3-benzyl-2-[(E)-2-[4-[(E)-2-(3-benzyl-1,3-benzothiazol-3-ium-2-yl)ethenyl]-1,4-diazepan-1-yl]ethenyl]-1,3-benzothiazol-3-ium;1-butyl-2-[2-[4-[2-(1-butyl-5,6-dichloro-3,3-dimethylindol-2-ylidene)ethylidene]piperazine-1,4-diium-1-ylidene]ethylidene]-5,6-dichloro-3,3-dimethylindole;3-butyl-2-[(E)-2-[4-[(E)-2-[3-butyl-1-ethyl-5-(trifluoromethyl)benzimidazol-1-ium-2-yl]ethenyl]piperazin-1-yl]ethenyl]-1-ethyl-5-(trifluoromethyl)benzimidazol-1-ium;3-butyl-1-ethyl-2-[(E)-2-piperidin-1-ylethenyl]-5-(trifluoromethyl)benzimidazol-1-ium;3-propyl-2-[(E)-2-[4-[(E)-2-(3-propyl-1,3-benzoxazol-3-ium-2-yl)ethenyl]piperazin-1-yl]ethenyl]-1,3-benzoxazol-3-ium
CID 161064976
5-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1,3-benzoxazole;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine
CID 163534769
7-Chloro-4-methylquinoline;4,5-dimethyl-2-phenyl-1,3-oxazole;4,5-dimethyl-2-phenyl-1,3-thiazole;1-fluoro-2-methylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;1-methyl-2-phenylbenzimidazole;1-methyl-4-phenylpiperazine;1-methyl-4-phenylpiperidine;2-methylpyridine
CID 157662673
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,6-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethyl-1,3-benzoxazole;5-methyl-11-[6-(5-methyl-2-pyridinyl)-3-pyridinyl]-2,4,6,10,12-pentazatricyclo[7.3.0.03,7]dodeca-1(9),2,4,7,11-pentaene
CID 159537496
5-chloro-6-fluoro-2-methyl-1-benzofuran;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;tris(2,5-dimethylpyridine);3,7-dimethylquinoline;6-fluoro-2,5-dimethyl-1,3-benzoxazole;2-methyl-1-benzofuran;7-methylquinoline
CID 160888751
1,4-bis(4-methylphenyl)benzene;2,5-bis(4-methylphenyl)pyrimidine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,6-dimethylnaphthalene;2,5-dimethylpyridine;2,6-dimethylquinoline;2,6-dimethylquinoxaline;1-methyl-4-(4-methylphenyl)benzene;2-methyl-5-(4-methylphenyl)pyridine;2-methyl-5-[5-(4-methylphenyl)-2-pyridinyl]pyridine;1,2,5-trimethylbenzimidazole;1,4-xylene
CID 161027044
2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1,3-benzothiazole;2,5-dimethyl-1,3-benzoxazole;2,7-dimethylquinazoline;2,7-dimethylquinoline
CID 161227969
5-chloro-6-fluoro-2-methyl-1-benzofuran;7-chloro-2-methylquinoline;2-(difluoromethyl)-5-methylpyrazine;2,6-dimethyl-1H-benzimidazole;2,5-dimethyl-1-benzofuran;2,5-dimethyl-1,3-benzothiazole;tris(2,5-dimethylpyridine);2,6-dimethylquinoline;6-fluoro-2,5-dimethyl-1,3-benzoxazole;2-methyl-1-benzofuran;7-methylquinoline
CID 165062918

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide?
The IUPAC name of 6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide (CID 157459702) is 6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide.
What is the SMILES notation for 6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide?
The canonical SMILES for 6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide is CC(C)=C(F)C12CC(C)(C1)C2.CC12CC(c3ccc(Cl)cc3)(C1)C2.CC12CC(c3cccc(C(F)(F)F)n3)(C1)C2.CC12CC(c3ccnc(C(F)(F)F)n3)(C1)C2.CC12CC(c3nc4cc(C(F)(F)F)ccc4o3)(C1)C2.CC12CC(c3nc4ccc(Cl)cc4[nH]3)(C1)C2.CC12CC(c3nc4ccc(F)cc4[nH]3)(C1)C2.CC12CC(c3nccc(C(F)(F)F)n3)(C1)C2.CCC(=O)NC12CC(C(F)(F)F)(C1)C2.CCC(=O)NC12CC(c3ccc(C(F)(F)F)cc3)(C1)C2.NC12CC(c3nc4cc(C(F)(F)F)ccc4s3)(C1)C2.
What is the InChIKey of 6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide?
The InChIKey is BTTTVAIFHRHLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO.C14H12F3NO.C13H13ClN2.C13H11F3N2S.C13H13FN2.C12H13Cl.C12H12F3N.2C11H11F3N2.C10H15F.C9H12F3NO/c1-2-12(20)19-14-7-13(8-14,9-14)10-3-5-11(6-4-10)15(16,17)18;1-12-5-13(6-12,7-12)11-18-9-4-8(14(15,16)17)2-3-10(9)19-11;1-12-5-13(6-12,7-12)11-15-9-3-2-8(14)4-10(9)16-11;14-13(15,16)7-1-2-9-8(3-7)18-10(19-9)11-4-12(17,5-11)6-11;1-12-5-13(6-12,7-12)11-15-9-3-2-8(14)4-10(9)16-11;1-11-6-12(7-11,8-11)9-2-4-10(13)5-3-9;1-10-5-11(6-10,7-10)8-3-2-4-9(16-8)12(13,14)15;1-9-4-10(5-9,6-9)8-15-3-2-7(16-8)11(12,13)14;1-9-4-10(5-9,6-9)7-2-3-15-8(16-7)11(12,13)14;1-7(2)8(11)10-4-9(3,5-10)6-10;1-2-6(14)13-8-3-7(4-8,5-8)9(10,11)12/h3-6H,2,7-9H2,1H3,(H,19,20);2-4H,5-7H2,1H3;2-4H,5-7H2,1H3,(H,15,16);1-3H,4-6,17H2;2-4H,5-7H2,1H3,(H,15,16);2-5H,6-8H2,1H3;2-4H,5-7H2,1H3;2*2-3H,4-6H2,1H3;4-6H2,1-3H3;2-5H2,1H3,(H,13,14).
What are the key properties of 6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide?
6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide has a molecular weight of 2521.60 g/mol, XLogP of 36.58, 14 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(4-chlorophenyl)-3-methylbicyclo[1.1.1]pentane;6-fluoro-2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-1H-benzimidazole;1-(1-fluoro-2-methylprop-1-enyl)-3-methylbicyclo[1.1.1]pentane;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-5-(trifluoromethyl)-1,3-benzoxazole;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-6-(trifluoromethyl)pyridine;2-(3-methyl-1-bicyclo[1.1.1]pentanyl)-4-(trifluoromethyl)pyrimidine;4-(3-methyl-1-bicyclo[1.1.1]pentanyl)-2-(trifluoromethyl)pyrimidine;3-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]bicyclo[1.1.1]pentan-1-amine;N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]propanamide;N-[3-[4-(trifluoromethyl)phenyl]-1-bicyclo[1.1.1]pentanyl]propanamide is sourced from PubChem (CID 157459702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).