5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one

C147H135N39O12 — CID 161118078

IUPAC5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one
SMILESCOc1ccc(-c2ccc(-c3nn(C)c(-c4nc5ccc(CN)cc5[nH]4)c3O)cc2)cn1.Cn1nc(-c2ccc(-c3ccncc3)cc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1.Cn1nc(-c2ccc(CN3CCCCC3)cc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1.Cn1nc(-c2ccc(Cn3ccnn3)cc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3=O.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(C(=O)O)cc2[nH]1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(CO)cc2[nH]1
InChIInChI=1S/C24H22N6O2.C24H28N6O.C23H20N6O.C21H20N8O.C19H15N5O2.C18H14N4O3.C18H16N4O2/c1-30-22(24-27-18-9-3-14(12-25)11-19(18)28-24)23(31)21(29-30)16-6-4-15(5-7-16)17-8-10-20(32-2)26-13-17;1-29-22(24-26-19-10-7-17(14-25)13-20(19)27-24)23(31)21(28-29)18-8-5-16(6-9-18)15-30-11-3-2-4-12-30;1-29-21(23-26-18-7-2-14(13-24)12-19(18)27-23)22(30)20(28-29)17-5-3-15(4-6-17)16-8-10-25-11-9-16;1-28-19(21-24-16-7-4-14(11-22)10-17(16)25-21)20(30)18(26-28)15-5-2-13(3-6-15)12-29-9-8-23-27-29;1-24-16(17(25)15(23-24)10-5-3-2-4-6-10)18-21-13-7-11-9-20-19(26)12(11)8-14(13)22-18;1-22-15(16(23)14(21-22)10-5-3-2-4-6-10)17-19-12-8-7-11(18(24)25)9-13(12)20-17;1-22-16(17(24)15(21-22)12-5-3-2-4-6-12)18-19-13-8-7-11(10-23)9-14(13)20-18/h3-11,13,31H,12,25H2,1-2H3,(H,27,28);5-10,13,31H,2-4,11-12,14-15,25H2,1H3,(H,26,27);2-12,30H,13,24H2,1H3,(H,26,27);2-10,30H,11-12,22H2,1H3,(H,24,25);2-8,25H,9H2,1H3,(H,20,26)(H,21,22);2-9,23H,1H3,(H,19,20)(H,24,25);2-9,23-24H,10H2,1H3,(H,19,20)
InChIKeyUKOUKKXHIJQHJK-UHFFFAOYSA-N
MW2639.96 g/mol
LogP22.38
Rot. Bonds27

About 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one

5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one (PubChem CID 161118078) has the molecular formula C147H135N39O12 and a molecular weight of 2639.96 g/mol. Its IUPAC name is 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one.

Molecular Properties

Compound Name5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one
PubChem CID161118078
Molecular FormulaC147H135N39O12
Molecular Weight2639.96 g/mol
Exact Mass2638.12
IUPAC Name5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one
SMILESCOc1ccc(-c2ccc(-c3nn(C)c(-c4nc5ccc(CN)cc5[nH]4)c3O)cc2)cn1.Cn1nc(-c2ccc(-c3ccncc3)cc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1.Cn1nc(-c2ccc(CN3CCCCC3)cc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1.Cn1nc(-c2ccc(Cn3ccnn3)cc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3=O.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(C(=O)O)cc2[nH]1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(CO)cc2[nH]1
InChIInChI=1S/C24H22N6O2.C24H28N6O.C23H20N6O.C21H20N8O.C19H15N5O2.C18H14N4O3.C18H16N4O2/c1-30-22(24-27-18-9-3-14(12-25)11-19(18)28-24)23(31)21(29-30)16-6-4-15(5-7-16)17-8-10-20(32-2)26-13-17;1-29-22(24-26-19-10-7-17(14-25)13-20(19)27-24)23(31)21(28-29)18-8-5-16(6-9-18)15-30-11-3-2-4-12-30;1-29-21(23-26-18-7-2-14(13-24)12-19(18)27-23)22(30)20(28-29)17-5-3-15(4-6-17)16-8-10-25-11-9-16;1-28-19(21-24-16-7-4-14(11-22)10-17(16)25-21)20(30)18(26-28)15-5-2-13(3-6-15)12-29-9-8-23-27-29;1-24-16(17(25)15(23-24)10-5-3-2-4-6-10)18-21-13-7-11-9-20-19(26)12(11)8-14(13)22-18;1-22-15(16(23)14(21-22)10-5-3-2-4-6-10)17-19-12-8-7-11(18(24)25)9-13(12)20-17;1-22-16(17(24)15(21-22)12-5-3-2-4-6-12)18-19-13-8-7-11(10-23)9-14(13)20-18/h3-11,13,31H,12,25H2,1-2H3,(H,27,28);5-10,13,31H,2-4,11-12,14-15,25H2,1H3,(H,26,27);2-12,30H,13,24H2,1H3,(H,26,27);2-10,30H,11-12,22H2,1H3,(H,24,25);2-8,25H,9H2,1H3,(H,20,26)(H,21,22);2-9,23H,1H3,(H,19,20)(H,24,25);2-9,23-24H,10H2,1H3,(H,19,20)
InChIKeyUKOUKKXHIJQHJK-UHFFFAOYSA-N
XLogP22.38
TPSA726.78 Ų
H-Bond Donors21
H-Bond Acceptors42
Rotatable Bonds27
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002639.96
LogP ≤ 522.38
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1042

Analyze 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one with MolForge

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Launch Full Analysis

Related Compounds

5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-naphthalen-2-ylpyrazol-4-ol;2-[4-hydroxy-5-[4-(6-methoxy-3-pyridinyl)phenyl]-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboximidamide;2-[4-hydroxy-2-methyl-5-[4-(2-phenylethyl)phenyl]pyrazol-3-yl]-3H-benzimidazole-5-carboximidamide;2-[4-hydroxy-2-methyl-5-(4-pyridin-2-ylphenyl)pyrazol-3-yl]-3H-benzimidazole-5-carboximidamide;2-[4-hydroxy-2-methyl-5-(4-pyridin-4-ylphenyl)pyrazol-3-yl]-3H-benzimidazole-5-carboximidamide;[1-methyl-3-[4-[4-(methylcarbamoyl)phenyl]phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-yl] N,N-diethylcarbamate;[1-methyl-3-[4-(morpholin-4-ylmethyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-yl] N,N-diethylcarbamate
CID 161018390
5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-[5-[4-(benzenesulfonylmethyl)phenyl]-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide;2-[5-[4-[(ethylcarbamoylamino)methyl]phenyl]-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide;2-[4-hydroxy-5-[4-(methanesulfonamidomethyl)phenyl]-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide;2-[4-hydroxy-2-methyl-5-[4-(triazol-1-ylmethyl)phenyl]pyrazol-3-yl]-3H-benzimidazole-5-carboxamide;methyl N-[[4-[5-(6-carbamoyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylpyrazol-3-yl]phenyl]methyl]carbamate;1-methyl-3-phenyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
CID 161057397
2-[2-[[5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-bromophenyl)-4-hydroxypyrazol-1-yl]methyl]-4-hydroxy-5-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 143898597
2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 135988800
5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-(4-chlorophenyl)-1-methylpyrazol-4-ol;3-(4-chlorophenyl)-5-(6-isocyano-1H-benzimidazol-2-yl)-1-methylpyrazol-4-ol;methane
CID 158133695
methyl N-[[4-[5-(6-carbamoyl-1H-benzimidazol-2-yl)-4-hydroxy-1-methylpyrazol-3-yl]phenyl]methyl]carbamate
CID 135988697
5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(prop-1-en-2-ylamino)phenyl]pyrazol-4-ol
CID 136988228
2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide;methane;2-(4-methoxy-2-methyl-5-phenylpyrazol-3-yl)-N,N-dimethyl-3H-benzimidazole-5-carboxamide
CID 158194954
5-(6-isocyano-1H-benzimidazol-2-yl)-1-methyl-3-(4-phenylphenyl)pyrazol-4-ol
CID 135988793
2-[3-[4-(piperidin-1-ylmethyl)phenyl]phenyl]-1H-benzimidazole;2,2,2-trifluoroacetic acid
CID 44526464
[2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazol-5-yl] formate
CID 135988871
3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
CID 135988788

Frequently Asked Questions

What is the IUPAC name of 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one?
The IUPAC name of 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one (CID 161118078) is 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one.
What is the SMILES notation for 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one?
The canonical SMILES for 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one is COc1ccc(-c2ccc(-c3nn(C)c(-c4nc5ccc(CN)cc5[nH]4)c3O)cc2)cn1.Cn1nc(-c2ccc(-c3ccncc3)cc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1.Cn1nc(-c2ccc(CN3CCCCC3)cc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1.Cn1nc(-c2ccc(Cn3ccnn3)cc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3=O.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(C(=O)O)cc2[nH]1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(CO)cc2[nH]1.
What is the InChIKey of 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one?
The InChIKey is UKOUKKXHIJQHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2.C24H28N6O.C23H20N6O.C21H20N8O.C19H15N5O2.C18H14N4O3.C18H16N4O2/c1-30-22(24-27-18-9-3-14(12-25)11-19(18)28-24)23(31)21(29-30)16-6-4-15(5-7-16)17-8-10-20(32-2)26-13-17;1-29-22(24-26-19-10-7-17(14-25)13-20(19)27-24)23(31)21(28-29)18-8-5-16(6-9-18)15-30-11-3-2-4-12-30;1-29-21(23-26-18-7-2-14(13-24)12-19(18)27-23)22(30)20(28-29)17-5-3-15(4-6-17)16-8-10-25-11-9-16;1-28-19(21-24-16-7-4-14(11-22)10-17(16)25-21)20(30)18(26-28)15-5-2-13(3-6-15)12-29-9-8-23-27-29;1-24-16(17(25)15(23-24)10-5-3-2-4-6-10)18-21-13-7-11-9-20-19(26)12(11)8-14(13)22-18;1-22-15(16(23)14(21-22)10-5-3-2-4-6-10)17-19-12-8-7-11(18(24)25)9-13(12)20-17;1-22-16(17(24)15(21-22)12-5-3-2-4-6-12)18-19-13-8-7-11(10-23)9-14(13)20-18/h3-11,13,31H,12,25H2,1-2H3,(H,27,28);5-10,13,31H,2-4,11-12,14-15,25H2,1H3,(H,26,27);2-12,30H,13,24H2,1H3,(H,26,27);2-10,30H,11-12,22H2,1H3,(H,24,25);2-8,25H,9H2,1H3,(H,20,26)(H,21,22);2-9,23H,1H3,(H,19,20)(H,24,25);2-9,23-24H,10H2,1H3,(H,19,20).
What are the key properties of 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one?
5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one has a molecular weight of 2639.96 g/mol, XLogP of 22.38, 27 rotatable bonds, 21 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-3-[4-(6-methoxy-3-pyridinyl)phenyl]-1-methylpyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(piperidin-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-(4-pyridin-4-ylphenyl)pyrazol-4-ol;5-[6-(aminomethyl)-1H-benzimidazol-2-yl]-1-methyl-3-[4-(triazol-1-ylmethyl)phenyl]pyrazol-4-ol;5-[6-(hydroxymethyl)-1H-benzimidazol-2-yl]-1-methyl-3-phenylpyrazol-4-ol;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-3H-benzimidazole-5-carboxylic acid;2-(4-hydroxy-2-methyl-5-phenylpyrazol-3-yl)-5,6-dihydro-3H-pyrrolo[3,4-f]benzimidazol-7-one is sourced from PubChem (CID 161118078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).