3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide

C109H106F3N25O8 — CID 159174326

IUPAC3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)o1.O=C(Nc1c[nH]cc1-c1nc2ccc(CN3CCCCC3)cc2[nH]1)c1ccccc1-c1ccccc1.O=C(Nc1c[nH]cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1NCc1ccccc1.O=C(Nc1c[nH]cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncccc1Nc1ccccc1
InChIInChI=1S/C30H30N6O2.C30H29N5O.C28H27N7O2.C21H20F3N7O3/c37-30(23-8-4-5-9-25(23)32-17-21-6-2-1-3-7-21)35-28-19-31-18-24(28)29-33-26-11-10-22(16-27(26)34-29)20-36-12-14-38-15-13-36;36-30(24-12-6-5-11-23(24)22-9-3-1-4-10-22)34-28-19-31-18-25(28)29-32-26-14-13-21(17-27(26)33-29)20-35-15-7-2-8-16-35;36-28(26-23(7-4-10-30-26)31-20-5-2-1-3-6-20)34-25-17-29-16-21(25)27-32-22-9-8-19(15-24(22)33-27)18-35-11-13-37-14-12-35;1-11-26-18(21(22,23)24)17(34-11)20(32)29-15-9-25-30-16(15)19-27-13-3-2-12(8-14(13)28-19)10-31-4-6-33-7-5-31/h1-11,16,18-19,31-32H,12-15,17,20H2,(H,33,34)(H,35,37);1,3-6,9-14,17-19,31H,2,7-8,15-16,20H2,(H,32,33)(H,34,36);1-10,15-17,29,31H,11-14,18H2,(H,32,33)(H,34,36);2-3,8-9H,4-7,10H2,1H3,(H,25,30)(H,27,28)(H,29,32)
InChIKeyKMBYLJKCSPRTGB-UHFFFAOYSA-N
MW1951.21 g/mol
LogP19.85
Rot. Bonds26

About 3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide

3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide (PubChem CID 159174326) has the molecular formula C109H106F3N25O8 and a molecular weight of 1951.21 g/mol. Its IUPAC name is 3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide.

Molecular Properties

Compound Name3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide
PubChem CID159174326
Molecular FormulaC109H106F3N25O8
Molecular Weight1951.21 g/mol
Exact Mass1949.86
IUPAC Name3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide
SMILESCc1nc(C(F)(F)F)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)o1.O=C(Nc1c[nH]cc1-c1nc2ccc(CN3CCCCC3)cc2[nH]1)c1ccccc1-c1ccccc1.O=C(Nc1c[nH]cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1NCc1ccccc1.O=C(Nc1c[nH]cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncccc1Nc1ccccc1
InChIInChI=1S/C30H30N6O2.C30H29N5O.C28H27N7O2.C21H20F3N7O3/c37-30(23-8-4-5-9-25(23)32-17-21-6-2-1-3-7-21)35-28-19-31-18-24(28)29-33-26-11-10-22(16-27(26)34-29)20-36-12-14-38-15-13-36;36-30(24-12-6-5-11-23(24)22-9-3-1-4-10-22)34-28-19-31-18-25(28)29-32-26-14-13-21(17-27(26)33-29)20-35-15-7-2-8-16-35;36-28(26-23(7-4-10-30-26)31-20-5-2-1-3-6-20)34-25-17-29-16-21(25)27-32-22-9-8-19(15-24(22)33-27)18-35-11-13-37-14-12-35;1-11-26-18(21(22,23)24)17(34-11)20(32)29-15-9-25-30-16(15)19-27-13-3-2-12(8-14(13)28-19)10-31-4-6-33-7-5-31/h1-11,16,18-19,31-32H,12-15,17,20H2,(H,33,34)(H,35,37);1,3-6,9-14,17-19,31H,2,7-8,15-16,20H2,(H,32,33)(H,34,36);1-10,15-17,29,31H,11-14,18H2,(H,32,33)(H,34,36);2-3,8-9H,4-7,10H2,1H3,(H,25,30)(H,27,28)(H,29,32)
InChIKeyKMBYLJKCSPRTGB-UHFFFAOYSA-N
XLogP19.85
TPSA410.80 Ų
H-Bond Donors14
H-Bond Acceptors21
Rotatable Bonds26
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001951.21
LogP ≤ 519.85
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1021

Analyze 3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide with MolForge

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Related Compounds

5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(dimethylamino)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-morpholin-4-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-piperidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide;N-(2-methylpyrimidin-5-yl)-5-(5-pyrrolidin-1-yl-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157470632
2,6-difluoro-N-[5-[4-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(4-oxo-5,6,7,8-tetrahydro-1H-imidazo[4,5-c]azepin-2-yl)-1H-pyrazol-4-yl]benzamide;4-fluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]cinnoline-4-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylacetamide
CID 157708135
2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 158448071
3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylbenzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(2-phenylethyl)benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-1-pyrimidin-2-ylpiperidine-4-carboxamide
CID 158570745
2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;1-methyl-7-propan-2-ylindazole;3-methyl-4-propan-2-yl-2H-indazole;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;4-propan-2-yl-1H-indazole;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 158594192
N-[4-(6-acetyl-3-pyridinyl)phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[[(3S)-1-(2-methylbenzoyl)pyrrolidin-3-yl]amino]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;bis(N-[6-[4-[(2-methylphenyl)carbamoyl]phenyl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide);N-[4-[6-[(2-methylphenyl)carbamoyl]-3-pyridinyl]phenyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 158656732
2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-2-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]ethanone;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,4,6-trifluoro-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide
CID 158953388
2-[4-(5-cyanopyrazin-2-yl)piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;2-[4-[5-(dimethylcarbamoyl)pyrazin-2-yl]piperazin-1-yl]-6-fluoro-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(morpholine-4-carbonyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(pyrrolidine-1-carbonyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(trifluoromethyl)pyrazin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[2-(trifluoromethyl)pyrimidin-5-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide;6-fluoro-2-[4-[5-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]-1H-benzimidazole-4-carboxamide
CID 158969803
2,6-difluoro-N-[5-[6-[(4-methylpiperidin-1-yl)methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-[6-(piperazin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-[[(3S,5R)-3,5-dimethylpiperidin-1-yl]methyl]-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;5-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethyl)furan-3-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 159224166
3-anilino-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-phenylbenzamide
CID 159268866
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159543739
N-[6-[4-(1H-benzimidazol-2-yl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;N-[6-[4-(N-cyano-C-pyrrolidin-1-ylcarbonimidoyl)piperazin-1-yl]-3-pyridinyl]-2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;ethyl 7-[5-[[2-(4-phenylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]-2-pyridinyl]-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-3-carboxylate;N-[6-[4-(2-fluorophenyl)piperazin-1-yl]-3-pyridinyl]-2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-(3-methylpiperidin-1-yl)-N-[6-[4-(3,3,3-trifluoro-2-hydroxypropanoyl)piperazin-1-yl]-3-pyridinyl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide
CID 159759306

Frequently Asked Questions

What is the IUPAC name of 3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide?
The IUPAC name of 3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide (CID 159174326) is 3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide.
What is the SMILES notation for 3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide?
The canonical SMILES for 3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide is Cc1nc(C(F)(F)F)c(C(=O)Nc2cn[nH]c2-c2nc3ccc(CN4CCOCC4)cc3[nH]2)o1.O=C(Nc1c[nH]cc1-c1nc2ccc(CN3CCCCC3)cc2[nH]1)c1ccccc1-c1ccccc1.O=C(Nc1c[nH]cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ccccc1NCc1ccccc1.O=C(Nc1c[nH]cc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)c1ncccc1Nc1ccccc1.
What is the InChIKey of 3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide?
The InChIKey is KMBYLJKCSPRTGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O2.C30H29N5O.C28H27N7O2.C21H20F3N7O3/c37-30(23-8-4-5-9-25(23)32-17-21-6-2-1-3-7-21)35-28-19-31-18-24(28)29-33-26-11-10-22(16-27(26)34-29)20-36-12-14-38-15-13-36;36-30(24-12-6-5-11-23(24)22-9-3-1-4-10-22)34-28-19-31-18-25(28)29-32-26-14-13-21(17-27(26)33-29)20-35-15-7-2-8-16-35;36-28(26-23(7-4-10-30-26)31-20-5-2-1-3-6-20)34-25-17-29-16-21(25)27-32-22-9-8-19(15-24(22)33-27)18-35-11-13-37-14-12-35;1-11-26-18(21(22,23)24)17(34-11)20(32)29-15-9-25-30-16(15)19-27-13-3-2-12(8-14(13)28-19)10-31-4-6-33-7-5-31/h1-11,16,18-19,31-32H,12-15,17,20H2,(H,33,34)(H,35,37);1,3-6,9-14,17-19,31H,2,7-8,15-16,20H2,(H,32,33)(H,34,36);1-10,15-17,29,31H,11-14,18H2,(H,32,33)(H,34,36);2-3,8-9H,4-7,10H2,1H3,(H,25,30)(H,27,28)(H,29,32).
What are the key properties of 3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide?
3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide has a molecular weight of 1951.21 g/mol, XLogP of 19.85, 26 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-anilino-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]pyridine-2-carboxamide;2-(benzylamino)-N-[4-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide;2-methyl-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-4-(trifluoromethyl)-1,3-oxazole-5-carboxamide;2-phenyl-N-[4-[6-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]benzamide is sourced from PubChem (CID 159174326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).