About 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
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 (PubChem CID 161018390) has the molecular formula C179H170N46O12
and a molecular weight of 3157.64 g/mol. Its IUPAC name is 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.
Frequently Asked Questions
What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCN(CC)C(=O)Oc1c(-c2ccc(-c3ccc(C(=O)NC)cc3)cc2)nn(C)c1-c1nc2cc3c(cc2[nH]1)CNC3.CCN(CC)C(=O)Oc1c(-c2ccc(CN3CCOCC3)cc2)nn(C)c1-c1nc2cc3c(cc2[nH]1)CNC3.Cn1nc(-c2ccc3ccccc3c2)c(O)c1-c1nc2ccc(CN)cc2[nH]1.[H]/N=C(\N)c1ccc2nc(-c3c(O)c(-c4ccc(-c5ccc(OC)nc5)cc4)nn3C)[nH]c2c1.[H]/N=C(\N)c1ccc2nc(-c3c(O)c(-c4ccc(-c5ccccn5)cc4)nn3C)[nH]c2c1.[H]/N=C(\N)c1ccc2nc(-c3c(O)c(-c4ccc(-c5ccncc5)cc4)nn3C)[nH]c2c1.[H]/N=C(\N)c1ccc2nc(-c3c(O)c(-c4ccc(CCc5ccccc5)cc4)nn3C)[nH]c2c1.
What is the InChIKey of 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?
The InChIKey is TYALQITYMUFJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33N7O3.C29H35N7O3.C26H24N6O.C24H21N7O2.2C23H19N7O.C22H19N5O/c1-5-39(6-2)32(41)42-29-27(21-11-7-19(8-12-21)20-9-13-22(14-10-20)31(40)33-3)37-38(4)28(29)30-35-25-15-23-17-34-18-24(23)16-26(25)36-30;1-4-36(5-2)29(37)39-27-25(20-8-6-19(7-9-20)18-35-10-12-38-13-11-35)33-34(3)26(27)28-31-23-14-21-16-30-17-22(21)15-24(23)32-28;1-32-23(26-29-20-14-13-19(25(27)28)15-21(20)30-26)24(33)22(31-32)18-11-9-17(10-12-18)8-7-16-5-3-2-4-6-16;1-31-21(24-28-17-9-7-15(23(25)26)11-18(17)29-24)22(32)20(30-31)14-5-3-13(4-6-14)16-8-10-19(33-2)27-12-16;1-30-20(23-27-17-7-6-16(22(24)25)12-18(17)28-23)21(31)19(29-30)15-4-2-13(3-5-15)14-8-10-26-11-9-14;1-30-20(23-27-17-10-9-15(22(24)25)12-18(17)28-23)21(31)19(29-30)14-7-5-13(6-8-14)16-4-2-3-11-26-16;1-27-20(22-24-17-9-6-13(12-23)10-18(17)25-22)21(28)19(26-27)16-8-7-14-4-2-3-5-15(14)11-16/h7-16,34H,5-6,17-18H2,1-4H3,(H,33,40)(H,35,36);6-9,14-15,30H,4-5,10-13,16-18H2,1-3H3,(H,31,32);2-6,9-15,33H,7-8H2,1H3,(H3,27,28)(H,29,30);3-12,32H,1-2H3,(H3,25,26)(H,28,29);2*2-12,31H,1H3,(H3,24,25)(H,27,28);2-11,28H,12,23H2,1H3,(H,24,25).
What are the key properties of 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?
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 has a molecular weight of 3157.64 g/mol, XLogP of 28.42, 36 rotatable bonds, 24 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161018390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).