N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone

C99H99F9N24O15S — CID 164987342

IUPACN-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)nc(N)n2C1CCOCC1.CC(=O)c1ccc2c(c1)nc(NC(=S)n1ccnc1)n2C1CCOCC1.CC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3[nH]1)n2C1CCOCC1.COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3[nH]1)n2C1CCOCC1.O=C(O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3[nH]1)n2C1CCOCC1
InChIInChI=1S/C24H25F3N6O4.C22H20F3N5O3.C21H18F3N5O4.C18H19N5O2S.C14H17N3O2/c1-35-11-8-28-21(34)14-2-5-20-19(12-14)31-23(33(20)15-6-9-36-10-7-15)32-22-29-17-4-3-16(13-18(17)30-22)37-24(25,26)27;1-12(31)13-2-5-19-18(10-13)28-21(30(19)14-6-8-32-9-7-14)29-20-26-16-4-3-15(11-17(16)27-20)33-22(23,24)25;22-21(23,24)33-13-2-3-14-15(10-13)26-19(25-14)28-20-27-16-9-11(18(30)31)1-4-17(16)29(20)12-5-7-32-8-6-12;1-12(24)13-2-3-16-15(10-13)20-17(21-18(26)22-7-6-19-11-22)23(16)14-4-8-25-9-5-14;1-9(18)10-2-3-13-12(8-10)16-14(15)17(13)11-4-6-19-7-5-11/h2-5,12-13,15H,6-11H2,1H3,(H,28,34)(H2,29,30,31,32);2-5,10-11,14H,6-9H2,1H3,(H2,26,27,28,29);1-4,9-10,12H,5-8H2,(H,30,31)(H2,25,26,27,28);2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H,20,21,26);2-3,8,11H,4-7H2,1H3,(H2,15,16)
InChIKeyGIRSYAPWRDJLOS-UHFFFAOYSA-N
MW2068.08 g/mol
LogP19.20
Rot. Bonds23

About N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone

N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone (PubChem CID 164987342) has the molecular formula C99H99F9N24O15S and a molecular weight of 2068.08 g/mol. Its IUPAC name is N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone.

Molecular Properties

Compound NameN-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone
PubChem CID164987342
Molecular FormulaC99H99F9N24O15S
Molecular Weight2068.08 g/mol
Exact Mass2066.73
IUPAC NameN-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone
SMILESCC(=O)c1ccc2c(c1)nc(N)n2C1CCOCC1.CC(=O)c1ccc2c(c1)nc(NC(=S)n1ccnc1)n2C1CCOCC1.CC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3[nH]1)n2C1CCOCC1.COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3[nH]1)n2C1CCOCC1.O=C(O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3[nH]1)n2C1CCOCC1
InChIInChI=1S/C24H25F3N6O4.C22H20F3N5O3.C21H18F3N5O4.C18H19N5O2S.C14H17N3O2/c1-35-11-8-28-21(34)14-2-5-20-19(12-14)31-23(33(20)15-6-9-36-10-7-15)32-22-29-17-4-3-16(13-18(17)30-22)37-24(25,26)27;1-12(31)13-2-5-19-18(10-13)28-21(30(19)14-6-8-32-9-7-14)29-20-26-16-4-3-15(11-17(16)27-20)33-22(23,24)25;22-21(23,24)33-13-2-3-14-15(10-13)26-19(25-14)28-20-27-16-9-11(18(30)31)1-4-17(16)29(20)12-5-7-32-8-6-12;1-12(24)13-2-3-16-15(10-13)20-17(21-18(26)22-7-6-19-11-22)23(16)14-4-8-25-9-5-14;1-9(18)10-2-3-13-12(8-10)16-14(15)17(13)11-4-6-19-7-5-11/h2-5,12-13,15H,6-11H2,1H3,(H,28,34)(H2,29,30,31,32);2-5,10-11,14H,6-9H2,1H3,(H2,26,27,28,29);1-4,9-10,12H,5-8H2,(H,30,31)(H2,25,26,27,28);2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H,20,21,26);2-3,8,11H,4-7H2,1H3,(H2,15,16)
InChIKeyGIRSYAPWRDJLOS-UHFFFAOYSA-N
XLogP19.20
TPSA467.78 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds23
Heavy Atoms148
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002068.08
LogP ≤ 519.20
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone with MolForge

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Related Compounds

ethyl 2-(imidazole-1-carbothioylamino)-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]amino]benzimidazole-5-carboxylate;methane;1-methyl-2-[[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;N-methyl-2-nitro-4-(trifluoromethoxy)aniline;1-N-methyl-4-(trifluoromethoxy)benzene-1,2-diamine;2-nitro-4-(trifluoromethoxy)aniline
CID 157144157
(2R)-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-(1H-imidazol-5-yl)ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[3-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2S)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoic acid;methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-5-(3-methoxyanilino)-2-(2-methylpropyl)-4-oxopentanoyl]amino]propanoate;hydrochloride
CID 157952772
N-(5-acetyl-1-methylbenzimidazol-2-yl)imidazole-1-carbothioamide;1-(2-amino-1-methylbenzimidazol-5-yl)ethanone;4-methylbenzene-1,2-diamine;5-methyl-2-nitroaniline;1-methyl-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone;1-[1-methyl-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]pentan-1-one
CID 158314521
4-[[1-(1H-benzimidazol-2-ylmethyl)benzimidazol-2-yl]methyl]morpholine;[4-[[1-(1H-benzimidazol-2-ylmethyl)benzimidazol-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone;1-(1H-benzimidazol-2-ylmethyl)-2-(2,5-dihydropyrrol-1-ylmethyl)benzimidazole;1-(1H-benzimidazol-2-ylmethyl)-2-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]benzimidazole;methyl 3-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate
CID 160351649
1'-(6-benzoyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-methyl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;methyl 2-(3-oxospiro[2-benzofuran-1,4'-piperidine]-1'-yl)-3H-benzimidazole-5-carboxylate;1'-(6-pyrazin-2-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-(6-pyridin-3-yl-1H-benzimidazol-2-yl)spiro[2-benzofuran-3,4'-piperidine]-1-one;1'-[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 160822321
pentakis(carbon dioxide);3,4-dimethylaniline;N-(3,4-dimethylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;N-(3-methoxy-4-methylphenyl)-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-amine;N-[3-[2-[2-(methoxymethyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]ethyl]-4-methylphenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide;3-(4-methylimidazol-1-yl)-N-[4-methyl-3-[2-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)ethyl]phenyl]-5-(trifluoromethyl)benzamide;2-methyl-1H-pyrrolo[2,3-b]pyridin-5-amine;4-methyl-1-[3-(trifluoromethyl)phenyl]imidazole
CID 161157755
ethyl 2-amino-1-(oxan-4-yl)benzimidazole-5-carboxylate;ethyl 2-(imidazole-1-carbothioylamino)-1-(oxan-4-yl)benzimidazole-5-carboxylate;ethyl 1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid
CID 161925466
(2R)-N-[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-(1H-imidazol-5-yl)ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-N-[(1S)-1-cyano-2-[3-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanamide;(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoic acid;methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-2-[2-(4-methoxy-1H-indol-2-yl)-2-oxoethyl]-4-methylpentanoyl]amino]propanoate;methyl (2S)-3-(1H-imidazol-5-yl)-2-methylpropanoate;hydrochloride
CID 164146034
N-[(2S)-1-[[(2S)-1-amino-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-(1H-imidazol-5-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide;N-[(2S)-1-[[(1S)-1-cyano-2-[3-(2,2,2-trifluoroacetyl)imidazol-4-yl]ethyl]amino]-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide;(2S)-3-(1H-imidazol-5-yl)-2-methylpropanoic acid;(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoic acid;methyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;methyl (2S)-3-(1H-imidazol-5-yl)-2-[[(2R)-5-(3-methoxyanilino)-2-(2-methylpropyl)-4-oxopentanoyl]amino]propanoate;hydrochloride
CID 164146442
N,1-bis(2-methoxyethyl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(2-methoxyethyl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid
CID 164954913
N-(5-acetyl-1-methylbenzimidazol-2-yl)imidazole-1-carbothioamide;1-methyl-2-[[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-methyl-2-[[1-methyl-5-(trifluoromethoxy)benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone;N-methyl-2-nitro-4-(trifluoromethoxy)aniline;1-N-methyl-4-(trifluoromethoxy)benzene-1,2-diamine;2-nitro-4-(trifluoromethoxy)aniline
CID 164975788
ethyl 2-amino-1-methylbenzimidazole-5-carboxylate;ethyl 2-(imidazole-1-carbothioylamino)-1-methylbenzimidazole-5-carboxylate;ethyl 1-methyl-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylate;N-(2-methoxyethyl)-1-methyl-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;4-methylbenzene-1,2-diamine;5-methyl-2-nitroaniline;1-methyl-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid
CID 164980477

Frequently Asked Questions

What is the IUPAC name of N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone?
The IUPAC name of N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone (CID 164987342) is N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone.
What is the SMILES notation for N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone?
The canonical SMILES for N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone is CC(=O)c1ccc2c(c1)nc(N)n2C1CCOCC1.CC(=O)c1ccc2c(c1)nc(NC(=S)n1ccnc1)n2C1CCOCC1.CC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3[nH]1)n2C1CCOCC1.COCCNC(=O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3[nH]1)n2C1CCOCC1.O=C(O)c1ccc2c(c1)nc(Nc1nc3ccc(OC(F)(F)F)cc3[nH]1)n2C1CCOCC1.
What is the InChIKey of N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone?
The InChIKey is GIRSYAPWRDJLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O4.C22H20F3N5O3.C21H18F3N5O4.C18H19N5O2S.C14H17N3O2/c1-35-11-8-28-21(34)14-2-5-20-19(12-14)31-23(33(20)15-6-9-36-10-7-15)32-22-29-17-4-3-16(13-18(17)30-22)37-24(25,26)27;1-12(31)13-2-5-19-18(10-13)28-21(30(19)14-6-8-32-9-7-14)29-20-26-16-4-3-15(11-17(16)27-20)33-22(23,24)25;22-21(23,24)33-13-2-3-14-15(10-13)26-19(25-14)28-20-27-16-9-11(18(30)31)1-4-17(16)29(20)12-5-7-32-8-6-12;1-12(24)13-2-3-16-15(10-13)20-17(21-18(26)22-7-6-19-11-22)23(16)14-4-8-25-9-5-14;1-9(18)10-2-3-13-12(8-10)16-14(15)17(13)11-4-6-19-7-5-11/h2-5,12-13,15H,6-11H2,1H3,(H,28,34)(H2,29,30,31,32);2-5,10-11,14H,6-9H2,1H3,(H2,26,27,28,29);1-4,9-10,12H,5-8H2,(H,30,31)(H2,25,26,27,28);2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H,20,21,26);2-3,8,11H,4-7H2,1H3,(H2,15,16).
What are the key properties of N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone?
N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone has a molecular weight of 2068.08 g/mol, XLogP of 19.20, 23 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-acetyl-1-(oxan-4-yl)benzimidazol-2-yl]imidazole-1-carbothioamide;1-[2-amino-1-(oxan-4-yl)benzimidazol-5-yl]ethanone;N-(2-methoxyethyl)-1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxamide;1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazole-5-carboxylic acid;1-[1-(oxan-4-yl)-2-[[6-(trifluoromethoxy)-1H-benzimidazol-2-yl]amino]benzimidazol-5-yl]ethanone is sourced from PubChem (CID 164987342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).