5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate

C110H126F2N28O28 — CID 159391653

IUPAC5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate
SMILESCNc1cc(C(=O)OC)ccc1N.CNc1cc(C(=O)OC)ccc1[N+](=O)[O-].COC(=O)c1ccc([N+](=O)[O-])c(F)c1.COC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC3)n(C)c2c1.Cn1c(C2(N)CCC2)nc2ccc(-c3n[nH]c(=O)o3)cc21.Cn1c(C2(NC(=O)OC(C)(C)C)CCC2)nc2ccc(-c3n[nH]c(=O)o3)cc21.Cn1c(C2(NC(=O)OC(C)(C)C)CCC2)nc2ccc(C(=O)NN)cc21.O=C(O)c1ccc([N+](=O)[O-])c(F)c1.O=C(n1ccnc1)n1cccn1
InChIInChI=1S/C19H23N5O4.C19H25N3O4.C18H25N5O3.C14H15N5O2.C9H10N2O4.C9H12N2O2.C8H6FNO4.C7H4FNO4.C7H6N4O/c1-18(2,3)28-16(25)21-19(8-5-9-19)15-20-12-7-6-11(10-13(12)24(15)4)14-22-23-17(26)27-14;1-18(2,3)26-17(24)21-19(9-6-10-19)16-20-13-8-7-12(15(23)25-5)11-14(13)22(16)4;1-17(2,3)26-16(25)21-18(8-5-9-18)15-20-12-7-6-11(14(24)22-19)10-13(12)23(15)4;1-19-10-7-8(11-17-18-13(20)21-11)3-4-9(10)16-12(19)14(15)5-2-6-14;1-10-7-5-6(9(12)15-2)3-4-8(7)11(13)14;1-11-8-5-6(9(12)13-2)3-4-7(8)10;1-14-8(11)5-2-3-7(10(12)13)6(9)4-5;8-5-3-4(7(10)11)1-2-6(5)9(12)13;12-7(10-5-3-8-6-10)11-4-1-2-9-11/h6-7,10H,5,8-9H2,1-4H3,(H,21,25)(H,23,26);7-8,11H,6,9-10H2,1-5H3,(H,21,24);6-7,10H,5,8-9,19H2,1-4H3,(H,21,25)(H,22,24);3-4,7H,2,5-6,15H2,1H3,(H,18,20);3-5,10H,1-2H3;3-5,11H,10H2,1-2H3;2-4H,1H3;1-3H,(H,10,11);1-6H
InChIKeyLMEORYKNCXQIQQ-UHFFFAOYSA-N
MW2326.38 g/mol
LogP15.49
Rot. Bonds20

About 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate

5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate (PubChem CID 159391653) has the molecular formula C110H126F2N28O28 and a molecular weight of 2326.38 g/mol. Its IUPAC name is 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate.

Molecular Properties

Compound Name5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate
PubChem CID159391653
Molecular FormulaC110H126F2N28O28
Molecular Weight2326.38 g/mol
Exact Mass2324.93
IUPAC Name5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate
SMILESCNc1cc(C(=O)OC)ccc1N.CNc1cc(C(=O)OC)ccc1[N+](=O)[O-].COC(=O)c1ccc([N+](=O)[O-])c(F)c1.COC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC3)n(C)c2c1.Cn1c(C2(N)CCC2)nc2ccc(-c3n[nH]c(=O)o3)cc21.Cn1c(C2(NC(=O)OC(C)(C)C)CCC2)nc2ccc(-c3n[nH]c(=O)o3)cc21.Cn1c(C2(NC(=O)OC(C)(C)C)CCC2)nc2ccc(C(=O)NN)cc21.O=C(O)c1ccc([N+](=O)[O-])c(F)c1.O=C(n1ccnc1)n1cccn1
InChIInChI=1S/C19H23N5O4.C19H25N3O4.C18H25N5O3.C14H15N5O2.C9H10N2O4.C9H12N2O2.C8H6FNO4.C7H4FNO4.C7H6N4O/c1-18(2,3)28-16(25)21-19(8-5-9-19)15-20-12-7-6-11(10-13(12)24(15)4)14-22-23-17(26)27-14;1-18(2,3)26-17(24)21-19(9-6-10-19)16-20-13-8-7-12(15(23)25-5)11-14(13)22(16)4;1-17(2,3)26-16(25)21-18(8-5-9-18)15-20-12-7-6-11(14(24)22-19)10-13(12)23(15)4;1-19-10-7-8(11-17-18-13(20)21-11)3-4-9(10)16-12(19)14(15)5-2-6-14;1-10-7-5-6(9(12)15-2)3-4-8(7)11(13)14;1-11-8-5-6(9(12)13-2)3-4-7(8)10;1-14-8(11)5-2-3-7(10(12)13)6(9)4-5;8-5-3-4(7(10)11)1-2-6(5)9(12)13;12-7(10-5-3-8-6-10)11-4-1-2-9-11/h6-7,10H,5,8-9H2,1-4H3,(H,21,25)(H,23,26);7-8,11H,6,9-10H2,1-5H3,(H,21,24);6-7,10H,5,8-9,19H2,1-4H3,(H,21,25)(H,22,24);3-4,7H,2,5-6,15H2,1H3,(H,18,20);3-5,10H,1-2H3;3-5,11H,10H2,1-2H3;2-4H,1H3;1-3H,(H,10,11);1-6H
InChIKeyLMEORYKNCXQIQQ-UHFFFAOYSA-N
XLogP15.49
TPSA759.90 Ų
H-Bond Donors12
H-Bond Acceptors46
Rotatable Bonds20
Heavy Atoms168
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002326.38
LogP ≤ 515.49
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate with MolForge

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Related Compounds

N-[2-(dimethylamino)ethyl]-1-(4-pyrazol-1-ylphenyl)benzimidazole-5-carboxamide;4-fluoro-3-nitrobenzoic acid;3-nitro-4-(4-pyrazol-1-ylanilino)benzoic acid;4-pyrazol-1-ylaniline;1-(4-pyrazol-1-ylphenyl)benzimidazole-5-carboxylic acid
CID 157103413
1-(2,6-difluorophenyl)-3-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]urea;3,4-dinitrobenzoic acid;4-[(3,4-dinitrophenyl)methyl]morpholine;(3,4-dinitrophenyl)-morpholin-4-ylmethanone;4-(morpholin-4-ylmethyl)benzene-1,2-diamine;5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-amine;4-[[2-(4-nitro-1H-pyrazol-5-yl)-3H-benzimidazol-5-yl]methyl]morpholine
CID 157476368
2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;bis(1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide);4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide
CID 157556392
2-amino-1-[2-[2-(2-amino-5-carbamoylbenzimidazol-1-yl)ethyl-methylamino]ethyl]benzimidazole-5-carboxamide;N'-(2-aminoethyl)-N'-methylethane-1,2-diamine;1-[2-[2-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]ethyl-methylamino]ethyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxamide;4-[2-[2-(4-carbamoyl-2-nitroanilino)ethyl-methylamino]ethylamino]-3-nitrobenzamide;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzamide
CID 158572500
acetic acid;methyl 4-amino-3-[(1-methyl-4-nitro-2,3-dihydropyrrole-2-carbonyl)amino]benzoate;methyl 3,4-diaminobenzoate;methyl 2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrole-2-carbonyl]amino]imidazol-2-yl]-3H-benzimidazole-5-carboxylic acid;methyl 2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylate;methyl 2-(1-methyl-4-nitropyrrol-2-yl)-3H-benzimidazole-5-carboxylate;2-[1-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrol-2-yl]-3H-benzimidazole-5-carboxylic acid;1-methyl-4-nitropyrrole-2-carbaldehyde;1-methyl-4-nitropyrrole-2-carboxylic acid
CID 158818204
tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;methyl 2-amino-1-[(E)-4-(2-amino-5-carbamoylbenzimidazol-1-yl)but-2-enyl]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butylamino]-3-nitrobenzoic acid;oxido formate
CID 159295879
5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;di(imidazol-1-yl)methanone;3-fluoro-4-nitrobenzoic acid;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate
CID 160062058
Tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate
CID 160391482
[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-(5-phenylpyrazol-1-yl)benzimidazol-5-yl]methanone;tert-butyl 2-[(3S)-1-[1-methyl-2-(5-phenylpyrazol-1-yl)benzimidazole-5-carbonyl]piperidin-3-yl]acetate;methyl 3-amino-4-(methylamino)benzoate;methyl 2-bromo-1-methylbenzimidazole-5-carboxylate;methyl 1-methyl-2-oxo-3H-benzimidazole-5-carboxylate;methyl 1-methyl-2-(5-phenylpyrazol-1-yl)benzimidazole-5-carboxylate;1-methyl-2-(5-phenylpyrazol-1-yl)benzimidazole-5-carboxylic acid;5-phenyl-1H-pyrazole;hydrochloride
CID 160518394
3-amino-4-(3-fluoroanilino)benzoic acid;ethanol;3-fluoroaniline;4-(3-fluoroanilino)-3-nitrobenzoic acid;4-fluoro-3-nitrobenzoic acid;1-(3-fluorophenyl)benzimidazole-5-carboxylic acid;1-(3-fluorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)benzimidazole-5-carboxamide;phenylmethanamine;trimethoxymethane
CID 160522397
Methyl 3-(2-methylpropylamino)-4-nitrobenzoate;methyl 3-(2-methylpropyl)benzimidazole-5-carboxylate;3-(2-methylpropyl)benzimidazole-5-carboxylic acid;5-[3-(2-methylpropyl)benzimidazol-5-yl]-1,2-dihydropyrazol-3-one
CID 160542808
tetrapotassium;4-(4-aminobutylamino)-3-nitrobenzamide;5-aminopentyl(methyl)borinic acid;2-ethyl-5-methylpyrazole-3-carboxylic acid;4-fluoro-3-nitrobenzoic acid;hydride;4-[4-[[hydroxy(methyl)boranyl]amino]butylamino]-3-nitrobenzoic acid;methane;methyl 2-amino-1-[4-(2-amino-5-carbamoylbenzimidazol-1-yl)butyl]benzimidazole-5-carboxylate;methyl 1-[(E)-4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]but-2-enyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 1-[4-[5-carbamoyl-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazol-1-yl]butyl]-2-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]benzimidazole-5-carboxylate;methyl 4-[4-(4-carbamoyl-2-nitroanilino)butylamino]-3-nitrobenzoate;methyl 4-fluoro-3-nitrobenzoate;oxido formate
CID 160639228

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate?
The IUPAC name of 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate (CID 159391653) is 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate.
What is the SMILES notation for 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate?
The canonical SMILES for 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate is CNc1cc(C(=O)OC)ccc1N.CNc1cc(C(=O)OC)ccc1[N+](=O)[O-].COC(=O)c1ccc([N+](=O)[O-])c(F)c1.COC(=O)c1ccc2nc(C3(NC(=O)OC(C)(C)C)CCC3)n(C)c2c1.Cn1c(C2(N)CCC2)nc2ccc(-c3n[nH]c(=O)o3)cc21.Cn1c(C2(NC(=O)OC(C)(C)C)CCC2)nc2ccc(-c3n[nH]c(=O)o3)cc21.Cn1c(C2(NC(=O)OC(C)(C)C)CCC2)nc2ccc(C(=O)NN)cc21.O=C(O)c1ccc([N+](=O)[O-])c(F)c1.O=C(n1ccnc1)n1cccn1.
What is the InChIKey of 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate?
The InChIKey is LMEORYKNCXQIQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4.C19H25N3O4.C18H25N5O3.C14H15N5O2.C9H10N2O4.C9H12N2O2.C8H6FNO4.C7H4FNO4.C7H6N4O/c1-18(2,3)28-16(25)21-19(8-5-9-19)15-20-12-7-6-11(10-13(12)24(15)4)14-22-23-17(26)27-14;1-18(2,3)26-17(24)21-19(9-6-10-19)16-20-13-8-7-12(15(23)25-5)11-14(13)22(16)4;1-17(2,3)26-16(25)21-18(8-5-9-18)15-20-12-7-6-11(14(24)22-19)10-13(12)23(15)4;1-19-10-7-8(11-17-18-13(20)21-11)3-4-9(10)16-12(19)14(15)5-2-6-14;1-10-7-5-6(9(12)15-2)3-4-8(7)11(13)14;1-11-8-5-6(9(12)13-2)3-4-7(8)10;1-14-8(11)5-2-3-7(10(12)13)6(9)4-5;8-5-3-4(7(10)11)1-2-6(5)9(12)13;12-7(10-5-3-8-6-10)11-4-1-2-9-11/h6-7,10H,5,8-9H2,1-4H3,(H,21,25)(H,23,26);7-8,11H,6,9-10H2,1-5H3,(H,21,24);6-7,10H,5,8-9,19H2,1-4H3,(H,21,25)(H,22,24);3-4,7H,2,5-6,15H2,1H3,(H,18,20);3-5,10H,1-2H3;3-5,11H,10H2,1-2H3;2-4H,1H3;1-3H,(H,10,11);1-6H.
What are the key properties of 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate?
5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate has a molecular weight of 2326.38 g/mol, XLogP of 15.49, 20 rotatable bonds, 12 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-aminocyclobutyl)-3-methylbenzimidazol-5-yl]-3H-1,3,4-oxadiazol-2-one;tert-butyl N-[1-[6-(hydrazinecarbonyl)-1-methylbenzimidazol-2-yl]cyclobutyl]carbamate;tert-butyl N-[1-[1-methyl-6-(2-oxo-3H-1,3,4-oxadiazol-5-yl)benzimidazol-2-yl]cyclobutyl]carbamate;3-fluoro-4-nitrobenzoic acid;imidazol-1-yl(pyrazol-1-yl)methanone;methyl 4-amino-3-(methylamino)benzoate;methyl 3-fluoro-4-nitrobenzoate;methyl 3-(methylamino)-4-nitrobenzoate;methyl 3-methyl-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclobutyl]benzimidazole-5-carboxylate is sourced from PubChem (CID 159391653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).