6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole

C139H108N26O13 — CID 158980444

IUPAC6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)C2C(O3)C2c2nc3ccc(C)cc3[nH]2)ccn1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccnc(-c7ncc(C)[nH]7)c6)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccnc7[nH]ccc67)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccncc6)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccncn6)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ncnc7nc[nH]c67)cc5C43)[nH]c2c1
InChIInChI=1S/C26H21N5O2.C24H20N4O3.C24H18N4O2.C22H16N6O2.C22H17N3O2.C21H16N4O2/c1-13-3-5-18-19(9-13)31-26(30-18)23-22-17-10-15(4-6-21(17)33-24(22)23)32-16-7-8-27-20(11-16)25-28-12-14(2)29-25;1-12-3-5-16-17(9-12)28-23(27-16)21-20-15-10-13(4-6-19(15)31-22(20)21)30-14-7-8-26-18(11-14)24(29)25-2;1-12-2-4-16-17(10-12)28-24(27-16)21-20-15-11-13(3-5-18(15)30-22(20)21)29-19-7-9-26-23-14(19)6-8-25-23;1-10-2-4-13-14(6-10)28-20(27-13)17-16-12-7-11(3-5-15(12)30-19(16)17)29-22-18-21(24-8-23-18)25-9-26-22;1-12-2-4-16-17(10-12)25-22(24-16)20-19-15-11-14(3-5-18(15)27-21(19)20)26-13-6-8-23-9-7-13;1-11-2-4-14-15(8-11)25-21(24-14)19-18-13-9-12(3-5-16(13)27-20(18)19)26-17-6-7-22-10-23-17/h3-12,22-24H,1-2H3,(H,28,29)(H,30,31);3-11,20-22H,1-2H3,(H,25,29)(H,27,28);2-11,20-22H,1H3,(H,25,26)(H,27,28);2-9,16-17,19H,1H3,(H,27,28)(H,23,24,25,26);2-11,19-21H,1H3,(H,24,25);2-10,18-20H,1H3,(H,24,25)
InChIKeyJOXVMMKOMNYVPP-UHFFFAOYSA-N
MW2350.56 g/mol
LogP27.41
Rot. Bonds20

About 6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole

6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole (PubChem CID 158980444) has the molecular formula C139H108N26O13 and a molecular weight of 2350.56 g/mol. Its IUPAC name is 6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole.

Molecular Properties

Compound Name6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole
PubChem CID158980444
Molecular FormulaC139H108N26O13
Molecular Weight2350.56 g/mol
Exact Mass2348.86
IUPAC Name6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)C2C(O3)C2c2nc3ccc(C)cc3[nH]2)ccn1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccnc(-c7ncc(C)[nH]7)c6)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccnc7[nH]ccc67)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccncc6)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccncn6)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ncnc7nc[nH]c67)cc5C43)[nH]c2c1
InChIInChI=1S/C26H21N5O2.C24H20N4O3.C24H18N4O2.C22H16N6O2.C22H17N3O2.C21H16N4O2/c1-13-3-5-18-19(9-13)31-26(30-18)23-22-17-10-15(4-6-21(17)33-24(22)23)32-16-7-8-27-20(11-16)25-28-12-14(2)29-25;1-12-3-5-16-17(9-12)28-23(27-16)21-20-15-10-13(4-6-19(15)31-22(20)21)30-14-7-8-26-18(11-14)24(29)25-2;1-12-2-4-16-17(10-12)28-24(27-16)21-20-15-11-13(3-5-18(15)30-22(20)21)29-19-7-9-26-23-14(19)6-8-25-23;1-10-2-4-13-14(6-10)28-20(27-13)17-16-12-7-11(3-5-15(12)30-19(16)17)29-22-18-21(24-8-23-18)25-9-26-22;1-12-2-4-16-17(10-12)25-22(24-16)20-19-15-11-14(3-5-18(15)27-21(19)20)26-13-6-8-23-9-7-13;1-11-2-4-14-15(8-11)25-21(24-14)19-18-13-9-12(3-5-16(13)27-20(18)19)26-17-6-7-22-10-23-17/h3-12,22-24H,1-2H3,(H,28,29)(H,30,31);3-11,20-22H,1-2H3,(H,25,29)(H,27,28);2-11,20-22H,1H3,(H,25,26)(H,27,28);2-9,16-17,19H,1H3,(H,27,28)(H,23,24,25,26);2-11,19-21H,1H3,(H,24,25);2-10,18-20H,1H3,(H,24,25)
InChIKeyJOXVMMKOMNYVPP-UHFFFAOYSA-N
XLogP27.41
TPSA488.21 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms178
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002350.56
LogP ≤ 527.41
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Analyze 6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole with MolForge

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Related Compounds

[(4aS,8aR)-2,3,4a,5,6,7,8,8a-octahydropyrido[4,3-b][1,4]oxazin-4-yl]-[2-[5-[(3aS,7aR)-6-[2-[1-(cyclopropylmethyl)-6-methoxypyrrolo[2,3-b]pyridin-2-yl]-7-fluoro-1-methylbenzimidazole-5-carbonyl]-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-2-yl]-7-methoxy-1-methylbenzimidazol-5-yl]methanone
CID 156426960
5-[[4-chloro-1-(5-fluoro-6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[4-chloro-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-methyl-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;N-methyl-4-[[1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-6-(trifluoromethyl)-1H-benzimidazole;2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-6-(trifluoromethyl)-1H-benzimidazole
CID 157144535
CID 157292479
CID 157292479
1-[(1S,1aR,6bR)-5-[(2-amino-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one;1-[(1S,1aR,6bR)-5-[(2-amino-4-pyridinyl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4,5-trifluorophenyl)propan-2-one;4-[[(1S,1aR,6bR)-1-[3-[4-chloro-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-N-methylpyridine-2-carboxamide;1-[(1S,1aR,6bR)-5-(7H-purin-6-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one
CID 157729106
(4R)-4-[(1R)-1-[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(3-methylbenzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-(3-methylimidazo[4,5-b]pyridin-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;2-[[7-[4-[1-(4-methylpiperazin-1-yl)ethenyl]phenyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 157750123
3-methoxy-N-methyl-4-[[4-propan-2-yloxy-5-[4-(1H-pyrrol-2-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(2,2,2-trifluoroethyl)benzamide;N-methyl-4-[[5-(2-methyl-1,3-benzoxazol-6-yl)-4-(oxan-4-yloxy)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-(trifluoromethyl)benzamide
CID 157850428
CID 157855541
CID 157855541
2-[[7-[6-(2,2-difluoropropoxy)-3-pyridinyl]quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-(1,5-dimethylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;(4R)-4-[(1R)-1-[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one;2-[[7-(2-methyl-3H-benzimidazol-5-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide;(4R)-4-[(1R)-1-[7-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 158066669
5-[[1-(6-tert-butyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(4-fluoro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3H-benzimidazole-5-carboxamide;5-[[1-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 158383744
tetrakis(5-[[(1R,1aS,6bR)-1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);(Z)-but-2-enedioic acid;tris((Z)-3-formyloxyprop-2-enoic acid)
CID 158858396
2-(1,3-benzoxazol-7-yl)-N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(1,3-benzoxazol-7-yl)-N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropylethyl)-2-(6-cyclopropyloxy-2-pyridinyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-(1-cyclopropyl-2,2,2-trifluoroethyl)-4-ethyl-2-(2-oxo-3-propan-2-ylimidazolidin-1-yl)imidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;N-[(1R)-1-cyclopropyl-2,2,2-trifluoroethyl]-2-(3-fluorophenyl)-4-methylimidazo[1,5-a]pyrimidine-8-carboxamide;2-(3-methoxyphenyl)-4-methyl-N-[(2R)-1,1,1-trifluoropropan-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
CID 158900408
CID 158956534
CID 158956534

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole?
The IUPAC name of 6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole (CID 158980444) is 6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole.
What is the SMILES notation for 6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole?
The canonical SMILES for 6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole is CNC(=O)c1cc(Oc2ccc3c(c2)C2C(O3)C2c2nc3ccc(C)cc3[nH]2)ccn1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccnc(-c7ncc(C)[nH]7)c6)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccnc7[nH]ccc67)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccncc6)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ccncn6)cc5C43)[nH]c2c1.Cc1ccc2nc(C3C4Oc5ccc(Oc6ncnc7nc[nH]c67)cc5C43)[nH]c2c1.
What is the InChIKey of 6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole?
The InChIKey is JOXVMMKOMNYVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2.C24H20N4O3.C24H18N4O2.C22H16N6O2.C22H17N3O2.C21H16N4O2/c1-13-3-5-18-19(9-13)31-26(30-18)23-22-17-10-15(4-6-21(17)33-24(22)23)32-16-7-8-27-20(11-16)25-28-12-14(2)29-25;1-12-3-5-16-17(9-12)28-23(27-16)21-20-15-10-13(4-6-19(15)31-22(20)21)30-14-7-8-26-18(11-14)24(29)25-2;1-12-2-4-16-17(10-12)28-24(27-16)21-20-15-11-13(3-5-18(15)30-22(20)21)29-19-7-9-26-23-14(19)6-8-25-23;1-10-2-4-13-14(6-10)28-20(27-13)17-16-12-7-11(3-5-15(12)30-19(16)17)29-22-18-21(24-8-23-18)25-9-26-22;1-12-2-4-16-17(10-12)25-22(24-16)20-19-15-11-14(3-5-18(15)27-21(19)20)26-13-6-8-23-9-7-13;1-11-2-4-14-15(8-11)25-21(24-14)19-18-13-9-12(3-5-16(13)27-20(18)19)26-17-6-7-22-10-23-17/h3-12,22-24H,1-2H3,(H,28,29)(H,30,31);3-11,20-22H,1-2H3,(H,25,29)(H,27,28);2-11,20-22H,1H3,(H,25,26)(H,27,28);2-9,16-17,19H,1H3,(H,27,28)(H,23,24,25,26);2-11,19-21H,1H3,(H,24,25);2-10,18-20H,1H3,(H,24,25).
What are the key properties of 6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole?
6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole has a molecular weight of 2350.56 g/mol, XLogP of 27.41, 20 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-7H-purine;N-methyl-4-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]pyridine-2-carboxamide;6-methyl-2-[5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole;6-methyl-2-(5-pyridin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-(5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)-1H-benzimidazole;6-methyl-2-[5-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-1H-benzimidazole is sourced from PubChem (CID 158980444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).