[(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

C127H127BrClN27O15 — CID 160518394

IUPAC[(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
SMILESCNc1ccc(C(=O)OC)cc1N.COC(=O)c1ccc2c(c1)[nH]c(=O)n2C.COC(=O)c1ccc2c(c1)nc(-n1nccc1-c1ccccc1)n2C.COC(=O)c1ccc2c(c1)nc(Br)n2C.Cl.Cn1c(-n2nccc2-c2ccccc2)nc2cc(C(=O)N3CCC[C@@H](CC(=O)OC(C)(C)C)C3)ccc21.Cn1c(-n2nccc2-c2ccccc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.Cn1c(-n2nccc2-c2ccccc2)nc2cc(C(=O)O)ccc21.c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C29H33N5O3.C23H24N6O.C19H16N4O2.C18H14N4O2.C10H9BrN2O2.C10H10N2O3.C9H12N2O2.C9H8N2.ClH/c1-29(2,3)37-26(35)17-20-9-8-16-33(19-20)27(36)22-12-13-25-23(18-22)31-28(32(25)4)34-24(14-15-30-34)21-10-6-5-7-11-21;1-27-21-10-9-17(22(30)28-13-5-8-18(24)15-28)14-19(21)26-23(27)29-20(11-12-25-29)16-6-3-2-4-7-16;1-22-17-9-8-14(18(24)25-2)12-15(17)21-19(22)23-16(10-11-20-23)13-6-4-3-5-7-13;1-21-16-8-7-13(17(23)24)11-14(16)20-18(21)22-15(9-10-19-22)12-5-3-2-4-6-12;1-13-8-4-3-6(9(14)15-2)5-7(8)12-10(13)11;1-12-8-4-3-6(9(13)15-2)5-7(8)11-10(12)14;1-11-8-4-3-6(5-7(8)10)9(12)13-2;1-2-4-8(5-3-1)9-6-7-10-11-9;/h5-7,10-15,18,20H,8-9,16-17,19H2,1-4H3;2-4,6-7,9-12,14,18H,5,8,13,15,24H2,1H3;3-12H,1-2H3;2-11H,1H3,(H,23,24);3-5H,1-2H3;3-5H,1-2H3,(H,11,14);3-5,11H,10H2,1-2H3;1-7H,(H,10,11);1H/t20-;18-;;;;;;;/m01......./s1
InChIKeyKNPIONTWIATDBO-QNINATOESA-N
MW2386.94 g/mol
LogP20.71
Rot. Bonds19

About [(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

[(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 (PubChem CID 160518394) has the molecular formula C127H127BrClN27O15 and a molecular weight of 2386.94 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID160518394
Molecular FormulaC127H127BrClN27O15
Molecular Weight2386.94 g/mol
Exact Mass2383.89
IUPAC Name[(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
SMILESCNc1ccc(C(=O)OC)cc1N.COC(=O)c1ccc2c(c1)[nH]c(=O)n2C.COC(=O)c1ccc2c(c1)nc(-n1nccc1-c1ccccc1)n2C.COC(=O)c1ccc2c(c1)nc(Br)n2C.Cl.Cn1c(-n2nccc2-c2ccccc2)nc2cc(C(=O)N3CCC[C@@H](CC(=O)OC(C)(C)C)C3)ccc21.Cn1c(-n2nccc2-c2ccccc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.Cn1c(-n2nccc2-c2ccccc2)nc2cc(C(=O)O)ccc21.c1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C29H33N5O3.C23H24N6O.C19H16N4O2.C18H14N4O2.C10H9BrN2O2.C10H10N2O3.C9H12N2O2.C9H8N2.ClH/c1-29(2,3)37-26(35)17-20-9-8-16-33(19-20)27(36)22-12-13-25-23(18-22)31-28(32(25)4)34-24(14-15-30-34)21-10-6-5-7-11-21;1-27-21-10-9-17(22(30)28-13-5-8-18(24)15-28)14-19(21)26-23(27)29-20(11-12-25-29)16-6-3-2-4-7-16;1-22-17-9-8-14(18(24)25-2)12-15(17)21-19(22)23-16(10-11-20-23)13-6-4-3-5-7-13;1-21-16-8-7-13(17(23)24)11-14(16)20-18(21)22-15(9-10-19-22)12-5-3-2-4-6-12;1-13-8-4-3-6(9(14)15-2)5-7(8)12-10(13)11;1-12-8-4-3-6(9(13)15-2)5-7(8)11-10(12)14;1-11-8-4-3-6(5-7(8)10)9(12)13-2;1-2-4-8(5-3-1)9-6-7-10-11-9;/h5-7,10-15,18,20H,8-9,16-17,19H2,1-4H3;2-4,6-7,9-12,14,18H,5,8,13,15,24H2,1H3;3-12H,1-2H3;2-11H,1H3,(H,23,24);3-5H,1-2H3;3-5H,1-2H3,(H,11,14);3-5,11H,10H2,1-2H3;1-7H,(H,10,11);1H/t20-;18-;;;;;;;/m01......./s1
InChIKeyKNPIONTWIATDBO-QNINATOESA-N
XLogP20.71
TPSA500.34 Ų
H-Bond Donors6
H-Bond Acceptors37
Rotatable Bonds19
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002386.94
LogP ≤ 520.71
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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Related Compounds

N-benzyl-2-(1H-indazol-3-yl)-N-methyl-3H-benzimidazole-5-carboxamide;methyl 2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxylate
CID 136378112
benzyl N-[3-[5-[amino(hydroxy)methyl]-2-[[4-[5-[5-[[5-carbamoyl-1-[3-(phenylmethoxycarbonylamino)propyl]benzimidazol-2-yl]carbamoyl]-3-methylpyrazol-1-yl]pentyl]-1-ethyl-3-methylpyrazole-5-carbonyl]amino]benzimidazol-1-yl]propyl]carbamate
CID 154957460
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
Tert-butyl 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoyl]amino]benzoate;4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoyl]amino]benzoic acid
CID 157116867
N-(5-aminopentyl)-4-[2-(2H-indazol-3-yl)ethynyl]benzamide;tert-butyl N-[5-[[4-[2-(2H-indazol-3-yl)ethynyl]benzoyl]amino]pentyl]carbamate;4-[2-(2H-indazol-3-yl)ethynyl]benzoic acid;3-[2-(3-methylimidazol-4-yl)ethynyl]-N-(pyridin-2-ylmethyl)-2H-indazole-6-carboxamide
CID 157256202
6-methyl-1H-benzimidazole;5-methyl-1H-indazole;2-methyl-1H-indole;5-methyl-1H-indole;6-methyl-1H-indole;2-methyl-1H-indole-5-carboxylic acid;2-methyl-1H-indole-6-carboxylic acid;methyl 2-methyl-1H-indole-5-carboxylate
CID 157560965
2-(4,5-dimethyl-1H-pyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide;2-(5-ethyl-1H-pyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(1H-indazol-3-yl)-3H-benzimidazole-5-carboxylic acid
CID 157911667
3H-benzimidazole-5-carboxylic acid;tert-butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate;tert-butyl 4-[[1-[(dimethylamino)methyl]benzimidazole-5-carbonyl]amino]piperidine-1-carboxylate;tert-butyl 4-[(3-ethylbenzimidazole-5-carbonyl)amino]piperidine-1-carboxylate
CID 158443347
methane;methyl 4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzoate;4-[6-(1H-pyrazol-4-yl)benzimidazol-1-yl]benzoic acid
CID 158496921
Tert-butyl 4-aminobenzoate;tert-butyl 4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoyl]amino]benzoate;3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoic acid;4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]benzoyl]amino]benzoic acid
CID 158787567
Methyl 2-(2-benzylindazol-6-yl)-1-butylbenzimidazole-5-carboxylate;methyl 2-(2-benzylindazol-6-yl)-1-(2-methylpropyl)benzimidazole-5-carboxylate;methyl 1-[2-(cyclohexen-1-yl)ethyl]-2-[2-(3-phenylpropyl)indazol-6-yl]benzimidazole-5-carboxylate
CID 158829939
(3E)-3-[[4-(cyclopropylamino)-2-[5-[3-(dimethylamino)pyrrolidine-1-carbonyl]benzimidazol-1-yl]pyrazolo[1,5-a][1,3,5]triazin-8-yl]methylidene]pyrrolidine-2,5-dione;1-[4-(cyclopropylamino)-8-[(E)-(2,5-dioxopyrrolidin-3-ylidene)methyl]pyrazolo[1,5-a][1,3,5]triazin-2-yl]benzimidazole-5-carboxylic acid
CID 158907762

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is CNc1ccc(C(=O)OC)cc1N.COC(=O)c1ccc2c(c1)[nH]c(=O)n2C.COC(=O)c1ccc2c(c1)nc(-n1nccc1-c1ccccc1)n2C.COC(=O)c1ccc2c(c1)nc(Br)n2C.Cl.Cn1c(-n2nccc2-c2ccccc2)nc2cc(C(=O)N3CCC[C@@H](CC(=O)OC(C)(C)C)C3)ccc21.Cn1c(-n2nccc2-c2ccccc2)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccc21.Cn1c(-n2nccc2-c2ccccc2)nc2cc(C(=O)O)ccc21.c1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of [(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?
The InChIKey is KNPIONTWIATDBO-QNINATOESA-N. The full InChI is InChI=1S/C29H33N5O3.C23H24N6O.C19H16N4O2.C18H14N4O2.C10H9BrN2O2.C10H10N2O3.C9H12N2O2.C9H8N2.ClH/c1-29(2,3)37-26(35)17-20-9-8-16-33(19-20)27(36)22-12-13-25-23(18-22)31-28(32(25)4)34-24(14-15-30-34)21-10-6-5-7-11-21;1-27-21-10-9-17(22(30)28-13-5-8-18(24)15-28)14-19(21)26-23(27)29-20(11-12-25-29)16-6-3-2-4-7-16;1-22-17-9-8-14(18(24)25-2)12-15(17)21-19(22)23-16(10-11-20-23)13-6-4-3-5-7-13;1-21-16-8-7-13(17(23)24)11-14(16)20-18(21)22-15(9-10-19-22)12-5-3-2-4-6-12;1-13-8-4-3-6(9(14)15-2)5-7(8)12-10(13)11;1-12-8-4-3-6(9(13)15-2)5-7(8)11-10(12)14;1-11-8-4-3-6(5-7(8)10)9(12)13-2;1-2-4-8(5-3-1)9-6-7-10-11-9;/h5-7,10-15,18,20H,8-9,16-17,19H2,1-4H3;2-4,6-7,9-12,14,18H,5,8,13,15,24H2,1H3;3-12H,1-2H3;2-11H,1H3,(H,23,24);3-5H,1-2H3;3-5H,1-2H3,(H,11,14);3-5,11H,10H2,1-2H3;1-7H,(H,10,11);1H/t20-;18-;;;;;;;/m01......./s1.
What are the key properties of [(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?
[(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 has a molecular weight of 2386.94 g/mol, XLogP of 20.71, 19 rotatable bonds, 6 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 160518394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).