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

C146H136N42O19S2 — CID 161057397

IUPAC5-[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
SMILESCCNC(=O)NCc1ccc(-c2nn(C)c(-c3nc4ccc(C(N)=O)cc4[nH]3)c2O)cc1.COC(=O)NCc1ccc(-c2nn(C)c(-c3nc4ccc(C(N)=O)cc4[nH]3)c2O)cc1.Cn1nc(-c2ccc(CNS(C)(=O)=O)cc2)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1.Cn1nc(-c2ccc(CS(=O)(=O)c3ccccc3)cc2)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1.Cn1nc(-c2ccc(Cn3ccnn3)cc2)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C25H21N5O4S.C22H23N7O3.C21H18N8O2.C21H20N6O4.C20H20N6O4S.C19H17N5O.C18H17N5O/c1-30-22(25-27-19-12-11-17(24(26)32)13-20(19)28-25)23(31)21(29-30)16-9-7-15(8-10-16)14-35(33,34)18-5-3-2-4-6-18;1-3-24-22(32)25-11-12-4-6-13(7-5-12)17-19(30)18(29(2)28-17)21-26-15-9-8-14(20(23)31)10-16(15)27-21;1-28-18(21-24-15-7-6-14(20(22)31)10-16(15)25-21)19(30)17(26-28)13-4-2-12(3-5-13)11-29-9-8-23-27-29;1-27-17(20-24-14-8-7-13(19(22)29)9-15(14)25-20)18(28)16(26-27)12-5-3-11(4-6-12)10-23-21(30)31-2;1-26-17(20-23-14-8-7-13(19(21)28)9-15(14)24-20)18(27)16(25-26)12-5-3-11(4-6-12)10-22-31(2,29)30;1-24-17(18(25)16(23-24)11-5-3-2-4-6-11)19-21-14-7-12-9-20-10-13(12)8-15(14)22-19;1-23-16(17(24)15(22-23)12-5-3-2-4-6-12)18-20-13-8-7-11(10-19)9-14(13)21-18/h2-13,31H,14H2,1H3,(H2,26,32)(H,27,28);4-10,30H,3,11H2,1-2H3,(H2,23,31)(H,26,27)(H2,24,25,32);2-10,30H,11H2,1H3,(H2,22,31)(H,24,25);3-9,28H,10H2,1-2H3,(H2,22,29)(H,23,30)(H,24,25);3-9,22,27H,10H2,1-2H3,(H2,21,28)(H,23,24);2-8,20,25H,9-10H2,1H3,(H,21,22);2-9,24H,10,19H2,1H3,(H,20,21)
InChIKeyUCXYPFMOVDVZEI-UHFFFAOYSA-N
MW2847.10 g/mol
LogP17.25
Rot. Bonds33

About 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

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 (PubChem CID 161057397) has the molecular formula C146H136N42O19S2 and a molecular weight of 2847.10 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID161057397
Molecular FormulaC146H136N42O19S2
Molecular Weight2847.10 g/mol
Exact Mass2845.04
IUPAC Name5-[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
SMILESCCNC(=O)NCc1ccc(-c2nn(C)c(-c3nc4ccc(C(N)=O)cc4[nH]3)c2O)cc1.COC(=O)NCc1ccc(-c2nn(C)c(-c3nc4ccc(C(N)=O)cc4[nH]3)c2O)cc1.Cn1nc(-c2ccc(CNS(C)(=O)=O)cc2)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1.Cn1nc(-c2ccc(CS(=O)(=O)c3ccccc3)cc2)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1.Cn1nc(-c2ccc(Cn3ccnn3)cc2)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1
InChIInChI=1S/C25H21N5O4S.C22H23N7O3.C21H18N8O2.C21H20N6O4.C20H20N6O4S.C19H17N5O.C18H17N5O/c1-30-22(25-27-19-12-11-17(24(26)32)13-20(19)28-25)23(31)21(29-30)16-9-7-15(8-10-16)14-35(33,34)18-5-3-2-4-6-18;1-3-24-22(32)25-11-12-4-6-13(7-5-12)17-19(30)18(29(2)28-17)21-26-15-9-8-14(20(23)31)10-16(15)27-21;1-28-18(21-24-15-7-6-14(20(22)31)10-16(15)25-21)19(30)17(26-28)13-4-2-12(3-5-13)11-29-9-8-23-27-29;1-27-17(20-24-14-8-7-13(19(22)29)9-15(14)25-20)18(28)16(26-27)12-5-3-11(4-6-12)10-23-21(30)31-2;1-26-17(20-23-14-8-7-13(19(21)28)9-15(14)24-20)18(27)16(25-26)12-5-3-11(4-6-12)10-22-31(2,29)30;1-24-17(18(25)16(23-24)11-5-3-2-4-6-11)19-21-14-7-12-9-20-10-13(12)8-15(14)22-19;1-23-16(17(24)15(22-23)12-5-3-2-4-6-12)18-20-13-8-7-11(10-19)9-14(13)21-18/h2-13,31H,14H2,1H3,(H2,26,32)(H,27,28);4-10,30H,3,11H2,1-2H3,(H2,23,31)(H,26,27)(H2,24,25,32);2-10,30H,11H2,1H3,(H2,22,31)(H,24,25);3-9,28H,10H2,1-2H3,(H2,22,29)(H,23,30)(H,24,25);3-9,22,27H,10H2,1-2H3,(H2,21,28)(H,23,24);2-8,20,25H,9-10H2,1H3,(H,21,22);2-9,24H,10,19H2,1H3,(H,20,21)
InChIKeyUCXYPFMOVDVZEI-UHFFFAOYSA-N
XLogP17.25
TPSA911.09 Ų
H-Bond Donors25
H-Bond Acceptors45
Rotatable Bonds33
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002847.10
LogP ≤ 517.25
H-Bond Donors ≤ 525
H-Bond Acceptors ≤ 1045

Analyze 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 with MolForge

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Related Compounds

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]-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
1-methyl-3-(4-propylphenyl)-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
CID 135988674
3-(4-bromophenyl)-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(3-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;3-[4-(4-fluorophenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;4-[4-[4-hydroxy-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-3-yl]phenyl]benzamide;1-methyl-3-[4-(3-methylsulfonylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol;1-methyl-3-[4-(4-methylsulfonylphenyl)phenyl]-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
CID 158401254
3-[4-(3-ethylphenyl)phenyl]-1-methyl-5-(3,5,6,7-tetrahydropyrrolo[3,4-f]benzimidazol-2-yl)pyrazol-4-ol
CID 135988788
2-[5-(4-cyclopropylphenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 135857348
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
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-[5-[4-(azidomethyl)phenyl]-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 136988244
2-[5-(3-chlorophenyl)-4-hydroxy-2-methylpyrazol-3-yl]-3H-benzimidazole-5-carboxamide
CID 135988661
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCNC(=O)NCc1ccc(-c2nn(C)c(-c3nc4ccc(C(N)=O)cc4[nH]3)c2O)cc1.COC(=O)NCc1ccc(-c2nn(C)c(-c3nc4ccc(C(N)=O)cc4[nH]3)c2O)cc1.Cn1nc(-c2ccc(CNS(C)(=O)=O)cc2)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1.Cn1nc(-c2ccc(CS(=O)(=O)c3ccccc3)cc2)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1.Cn1nc(-c2ccc(Cn3ccnn3)cc2)c(O)c1-c1nc2ccc(C(N)=O)cc2[nH]1.Cn1nc(-c2ccccc2)c(O)c1-c1nc2cc3c(cc2[nH]1)CNC3.Cn1nc(-c2ccccc2)c(O)c1-c1nc2ccc(CN)cc2[nH]1.
What is the InChIKey of 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?
The InChIKey is UCXYPFMOVDVZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O4S.C22H23N7O3.C21H18N8O2.C21H20N6O4.C20H20N6O4S.C19H17N5O.C18H17N5O/c1-30-22(25-27-19-12-11-17(24(26)32)13-20(19)28-25)23(31)21(29-30)16-9-7-15(8-10-16)14-35(33,34)18-5-3-2-4-6-18;1-3-24-22(32)25-11-12-4-6-13(7-5-12)17-19(30)18(29(2)28-17)21-26-15-9-8-14(20(23)31)10-16(15)27-21;1-28-18(21-24-15-7-6-14(20(22)31)10-16(15)25-21)19(30)17(26-28)13-4-2-12(3-5-13)11-29-9-8-23-27-29;1-27-17(20-24-14-8-7-13(19(22)29)9-15(14)25-20)18(28)16(26-27)12-5-3-11(4-6-12)10-23-21(30)31-2;1-26-17(20-23-14-8-7-13(19(21)28)9-15(14)24-20)18(27)16(25-26)12-5-3-11(4-6-12)10-22-31(2,29)30;1-24-17(18(25)16(23-24)11-5-3-2-4-6-11)19-21-14-7-12-9-20-10-13(12)8-15(14)22-19;1-23-16(17(24)15(22-23)12-5-3-2-4-6-12)18-20-13-8-7-11(10-19)9-14(13)21-18/h2-13,31H,14H2,1H3,(H2,26,32)(H,27,28);4-10,30H,3,11H2,1-2H3,(H2,23,31)(H,26,27)(H2,24,25,32);2-10,30H,11H2,1H3,(H2,22,31)(H,24,25);3-9,28H,10H2,1-2H3,(H2,22,29)(H,23,30)(H,24,25);3-9,22,27H,10H2,1-2H3,(H2,21,28)(H,23,24);2-8,20,25H,9-10H2,1H3,(H,21,22);2-9,24H,10,19H2,1H3,(H,20,21).
What are the key properties of 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?
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 has a molecular weight of 2847.10 g/mol, XLogP of 17.25, 33 rotatable bonds, 25 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161057397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).