1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate

C173H170Cl2FN41O24 — CID 159197752

IUPAC1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate
SMILESCCc1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1.COC(=O)c1ccc(F)c([N+](=O)[O-])c1.COC(=O)c1ccc(NCc2nc3ccccc3[nH]2)c(N)c1.COC(=O)c1ccc(NCc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1.COC(=O)c1ccc2c(c1)nc(CCl)n2Cc1nc2ccccc2[nH]1.COC(=O)c1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1.NCc1nc2ccccc2[nH]1.O=C(Cl)c1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1.O=C(O)c1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1.O=C(O)c1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1
InChIInChI=1S/C22H23N5O3.C22H25N5O.C21H20ClN5O2.2C21H21N5O3.C18H15ClN4O2.C16H14N4O4.C16H16N4O2.C8H6FNO4.C8H9N3/c1-29-22(28)15-6-7-19-18(12-15)25-21(14-26-8-10-30-11-9-26)27(19)13-20-23-16-4-2-3-5-17(16)24-20;1-2-16-7-8-20-19(13-16)25-22(15-26-9-11-28-12-10-26)27(20)14-21-23-17-5-3-4-6-18(17)24-21;22-21(28)14-5-6-18-17(11-14)25-20(13-26-7-9-29-10-8-26)27(18)12-19-23-15-3-1-2-4-16(15)24-19;2*27-21(28)14-5-6-18-17(11-14)24-20(13-25-7-9-29-10-8-25)26(18)12-19-22-15-3-1-2-4-16(15)23-19;1-25-18(24)11-6-7-15-14(8-11)22-17(9-19)23(15)10-16-20-12-4-2-3-5-13(12)21-16;1-24-16(21)10-6-7-13(14(8-10)20(22)23)17-9-15-18-11-4-2-3-5-12(11)19-15;1-22-16(21)10-6-7-12(11(17)8-10)18-9-15-19-13-4-2-3-5-14(13)20-15;1-14-8(11)5-2-3-6(9)7(4-5)10(12)13;9-5-8-10-6-3-1-2-4-7(6)11-8/h2-7,12H,8-11,13-14H2,1H3,(H,23,24);3-8,13H,2,9-12,14-15H2,1H3,(H,23,24);1-6,11H,7-10,12-13H2,(H,23,24);2*1-6,11H,7-10,12-13H2,(H,22,23)(H,27,28);2-8H,9-10H2,1H3,(H,20,21);2-8,17H,9H2,1H3,(H,18,19);2-8,18H,9,17H2,1H3,(H,19,20);2-4H,1H3;1-4H,5,9H2,(H,10,11)
InChIKeyKOWOUEBUJFNKCJ-UHFFFAOYSA-N
MW3297.43 g/mol
LogP25.53
Rot. Bonds41

About 1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate

1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate (PubChem CID 159197752) has the molecular formula C173H170Cl2FN41O24 and a molecular weight of 3297.43 g/mol. Its IUPAC name is 1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate.

Molecular Properties

Compound Name1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate
PubChem CID159197752
Molecular FormulaC173H170Cl2FN41O24
Molecular Weight3297.43 g/mol
Exact Mass3294.27
IUPAC Name1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate
SMILESCCc1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1.COC(=O)c1ccc(F)c([N+](=O)[O-])c1.COC(=O)c1ccc(NCc2nc3ccccc3[nH]2)c(N)c1.COC(=O)c1ccc(NCc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1.COC(=O)c1ccc2c(c1)nc(CCl)n2Cc1nc2ccccc2[nH]1.COC(=O)c1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1.NCc1nc2ccccc2[nH]1.O=C(Cl)c1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1.O=C(O)c1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1.O=C(O)c1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1
InChIInChI=1S/C22H23N5O3.C22H25N5O.C21H20ClN5O2.2C21H21N5O3.C18H15ClN4O2.C16H14N4O4.C16H16N4O2.C8H6FNO4.C8H9N3/c1-29-22(28)15-6-7-19-18(12-15)25-21(14-26-8-10-30-11-9-26)27(19)13-20-23-16-4-2-3-5-17(16)24-20;1-2-16-7-8-20-19(13-16)25-22(15-26-9-11-28-12-10-26)27(20)14-21-23-17-5-3-4-6-18(17)24-21;22-21(28)14-5-6-18-17(11-14)25-20(13-26-7-9-29-10-8-26)27(18)12-19-23-15-3-1-2-4-16(15)24-19;2*27-21(28)14-5-6-18-17(11-14)24-20(13-25-7-9-29-10-8-25)26(18)12-19-22-15-3-1-2-4-16(15)23-19;1-25-18(24)11-6-7-15-14(8-11)22-17(9-19)23(15)10-16-20-12-4-2-3-5-13(12)21-16;1-24-16(21)10-6-7-13(14(8-10)20(22)23)17-9-15-18-11-4-2-3-5-12(11)19-15;1-22-16(21)10-6-7-12(11(17)8-10)18-9-15-19-13-4-2-3-5-14(13)20-15;1-14-8(11)5-2-3-6(9)7(4-5)10(12)13;9-5-8-10-6-3-1-2-4-7(6)11-8/h2-7,12H,8-11,13-14H2,1H3,(H,23,24);3-8,13H,2,9-12,14-15H2,1H3,(H,23,24);1-6,11H,7-10,12-13H2,(H,23,24);2*1-6,11H,7-10,12-13H2,(H,22,23)(H,27,28);2-8H,9-10H2,1H3,(H,20,21);2-8,17H,9H2,1H3,(H,18,19);2-8,18H,9,17H2,1H3,(H,19,20);2-4H,1H3;1-4H,5,9H2,(H,10,11)
InChIKeyKOWOUEBUJFNKCJ-UHFFFAOYSA-N
XLogP25.53
TPSA812.94 Ų
H-Bond Donors15
H-Bond Acceptors52
Rotatable Bonds41
Heavy Atoms241
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003297.43
LogP ≤ 525.53
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1052

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}

Analyze 1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate with MolForge

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Related Compounds

lithium;alumane;2-[[6-(chloromethyl)-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-(chloromethyl)-6-methylpyridin-3-ol;ethyl 1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(methoxycarbonylamino)benzimidazole-5-carboxylate;ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-(methoxycarbonylamino)benzimidazole-5-carboxylate;ethyl 2-(methoxycarbonylamino)-3H-benzimidazole-5-carboxylate;hydride;2-[[6-[[N-(2-hydroxyethyl)-3-methylanilino]methyl]-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[5-(hydroxymethyl)-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[6-(hydroxymethyl)-2-(methylamino)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-(3-methylanilino)ethanol;oxolane
CID 157299650
acetic acid;benzyl 4-(2-aminoanilino)piperidine-1-carboxylate;benzyl 4-aminopiperidine-1-carboxylate;benzyl 4-[2-[2-(4-chloro-2-fluorophenyl)ethylamino]anilino]piperidine-1-carboxylate;benzyl 4-[3-[2-(4-chloro-2-fluorophenyl)ethyl]-2-oxobenzimidazol-1-yl]piperidine-1-carboxylate;benzyl 4-(2-nitroanilino)piperidine-1-carboxylate;tert-butyl 2-[[4-[3-[2-(4-chloro-2-fluorophenyl)ethyl]-2-oxobenzimidazol-1-yl]piperidin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;4-chloro-2-fluoro-1-(2-methoxyethyl)benzene;1-[2-(4-chloro-2-fluorophenyl)ethyl]-3-piperidin-4-ylbenzimidazol-2-one;1-fluoro-2-nitrobenzene;hydrobromide
CID 157332625
tert-butyl 2-[[4-[6-[(4-chloro-2-fluorophenyl)methylamino]-2-pyridinyl]piperazin-1-yl]methyl]-3-(oxetan-2-ylmethyl)benzimidazole-5-carboxylate;tert-butyl 2-(chloromethyl)-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylate;tert-butyl 4-(6-chloro-2-pyridinyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;2-[2-(4-chloro-2-fluorophenyl)ethyl]-6-piperidin-1-ylpyridine;(4-chloro-2-fluorophenyl)methanamine;bis(2-[[4-[6-[(4-chloro-2-fluorophenyl)methylamino]-2-pyridinyl]piperazin-1-yl]methyl]-3-[[(2S)-oxetan-2-yl]methyl]benzimidazole-5-carboxylic acid);N-[(4-chloro-2-fluorophenyl)methyl]-6-piperazin-1-ylpyridin-2-amine;2,6-dichloropyridine
CID 157929054
lithium;alumane;2-(chloromethyl)-6-methylpyridin-3-ol;(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-5-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;2-[[2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-6-(hydroxymethyl)benzimidazol-1-yl]methyl]-6-methylpyridin-3-ol;ethyl 2-chloro-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3H-benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;ethyl 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methylamino]-3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]benzimidazole-5-carboxylate;hydride;oxolane;hydrochloride
CID 158226126
CID 158286823
CID 158286823
CID 158445528
CID 158445528
1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-(chloromethyl)benzimidazol-2-yl]methyl]morpholine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid;[1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazol-5-yl]methanol;methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate
CID 158512539
CID 158837086
CID 158837086
3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;methane;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
CID 159466316
3-(2-amino-4-methylphenyl)propan-1-ol;4-(chloromethyl)-1-methylbenzimidazole;dichloromethane;dioxomanganese;3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazole-5-carbaldehyde;[1-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[3-[(1-methylbenzimidazol-4-yl)methyl]-2-(3-morpholin-4-ylpropylamino)benzimidazol-5-yl]methanol;[2-(3-morpholin-4-ylpropylamino)-3H-benzimidazol-5-yl]methanol
CID 159526291
CID 159623505
CID 159623505
4-Amino-3-(methylamino)benzoic acid;(2,3-dimethylbenzimidazol-5-yl)methanamine;(2,3-dimethylbenzimidazol-5-yl)methanol;3-fluoro-4-nitrobenzoic acid;3-(methylamino)-4-nitrobenzoic acid;methyl 2,3-dimethylbenzimidazole-5-carboxylate
CID 159645788

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate?
The IUPAC name of 1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate (CID 159197752) is 1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate.
What is the SMILES notation for 1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate?
The canonical SMILES for 1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate is CCc1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1.COC(=O)c1ccc(F)c([N+](=O)[O-])c1.COC(=O)c1ccc(NCc2nc3ccccc3[nH]2)c(N)c1.COC(=O)c1ccc(NCc2nc3ccccc3[nH]2)c([N+](=O)[O-])c1.COC(=O)c1ccc2c(c1)nc(CCl)n2Cc1nc2ccccc2[nH]1.COC(=O)c1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1.NCc1nc2ccccc2[nH]1.O=C(Cl)c1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1.O=C(O)c1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1.O=C(O)c1ccc2c(c1)nc(CN1CCOCC1)n2Cc1nc2ccccc2[nH]1.
What is the InChIKey of 1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate?
The InChIKey is KOWOUEBUJFNKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3.C22H25N5O.C21H20ClN5O2.2C21H21N5O3.C18H15ClN4O2.C16H14N4O4.C16H16N4O2.C8H6FNO4.C8H9N3/c1-29-22(28)15-6-7-19-18(12-15)25-21(14-26-8-10-30-11-9-26)27(19)13-20-23-16-4-2-3-5-17(16)24-20;1-2-16-7-8-20-19(13-16)25-22(15-26-9-11-28-12-10-26)27(20)14-21-23-17-5-3-4-6-18(17)24-21;22-21(28)14-5-6-18-17(11-14)25-20(13-26-7-9-29-10-8-26)27(18)12-19-23-15-3-1-2-4-16(15)24-19;2*27-21(28)14-5-6-18-17(11-14)24-20(13-25-7-9-29-10-8-25)26(18)12-19-22-15-3-1-2-4-16(15)23-19;1-25-18(24)11-6-7-15-14(8-11)22-17(9-19)23(15)10-16-20-12-4-2-3-5-13(12)21-16;1-24-16(21)10-6-7-13(14(8-10)20(22)23)17-9-15-18-11-4-2-3-5-12(11)19-15;1-22-16(21)10-6-7-12(11(17)8-10)18-9-15-19-13-4-2-3-5-14(13)20-15;1-14-8(11)5-2-3-6(9)7(4-5)10(12)13;9-5-8-10-6-3-1-2-4-7(6)11-8/h2-7,12H,8-11,13-14H2,1H3,(H,23,24);3-8,13H,2,9-12,14-15H2,1H3,(H,23,24);1-6,11H,7-10,12-13H2,(H,23,24);2*1-6,11H,7-10,12-13H2,(H,22,23)(H,27,28);2-8H,9-10H2,1H3,(H,20,21);2-8,17H,9H2,1H3,(H,18,19);2-8,18H,9,17H2,1H3,(H,19,20);2-4H,1H3;1-4H,5,9H2,(H,10,11).
What are the key properties of 1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate?
1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate has a molecular weight of 3297.43 g/mol, XLogP of 25.53, 41 rotatable bonds, 15 hydrogen bond donors, and 52 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-ylmethanamine;4-[[1-(1H-benzimidazol-2-ylmethyl)-5-ethylbenzimidazol-2-yl]methyl]morpholine;1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carbonyl chloride;bis(1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylic acid);methyl 3-amino-4-(1H-benzimidazol-2-ylmethylamino)benzoate;methyl 4-(1H-benzimidazol-2-ylmethylamino)-3-nitrobenzoate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(chloromethyl)benzimidazole-5-carboxylate;methyl 1-(1H-benzimidazol-2-ylmethyl)-2-(morpholin-4-ylmethyl)benzimidazole-5-carboxylate;methyl 4-fluoro-3-nitrobenzoate is sourced from PubChem (CID 159197752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).