4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol

C82H75N23O6 — CID 158006811

IUPAC4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2cc3ccccc3[nH]2)=C(O)CN1C1CCCNC1.[H]/N=C1/C(c2cc3ccccc3[nH]2)=C(O)CN1c1cc(C)cc(O)c1.[H]/N=C1/C(c2cc3ccccc3[nH]2)=C(O)CN1c1cccnn1.[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1c1cccnc1.[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1c1ccn[nH]1
InChIInChI=1S/C19H17N3O2.C17H20N4O.2C16H13N5O.C14H12N6O/c1-11-6-13(9-14(23)7-11)22-10-17(24)18(19(22)20)16-8-12-4-2-3-5-15(12)21-16;18-17-16(14-8-11-4-1-2-6-13(11)20-14)15(22)10-21(17)12-5-3-7-19-9-12;17-15-14(16-19-11-5-1-2-6-12(11)20-16)13(22)9-21(15)10-4-3-7-18-8-10;17-16-15(12-8-10-4-1-2-5-11(10)19-12)13(22)9-21(16)14-6-3-7-18-20-14;15-13-12(10(21)7-20(13)11-5-6-16-19-11)14-17-8-3-1-2-4-9(8)18-14/h2-9,20-21,23-24H,10H2,1H3;1-2,4,6,8,12,18-20,22H,3,5,7,9-10H2;1-8,17,22H,9H2,(H,19,20);1-8,17,19,22H,9H2;1-6,15,21H,7H2,(H,16,19)(H,17,18)/b20-19-;18-17-;17-15-;17-16-;15-13-
InChIKeyJXFHSDBJJISCEY-GERSQNGJSA-N
MW1478.66 g/mol
LogP13.93
Rot. Bonds10

About 4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol

4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol (PubChem CID 158006811) has the molecular formula C82H75N23O6 and a molecular weight of 1478.66 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol
PubChem CID158006811
Molecular FormulaC82H75N23O6
Molecular Weight1478.66 g/mol
Exact Mass1477.63
IUPAC Name4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2cc3ccccc3[nH]2)=C(O)CN1C1CCCNC1.[H]/N=C1/C(c2cc3ccccc3[nH]2)=C(O)CN1c1cc(C)cc(O)c1.[H]/N=C1/C(c2cc3ccccc3[nH]2)=C(O)CN1c1cccnn1.[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1c1cccnc1.[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1c1ccn[nH]1
InChIInChI=1S/C19H17N3O2.C17H20N4O.2C16H13N5O.C14H12N6O/c1-11-6-13(9-14(23)7-11)22-10-17(24)18(19(22)20)16-8-12-4-2-3-5-15(12)21-16;18-17-16(14-8-11-4-1-2-6-13(11)20-14)15(22)10-21(17)12-5-3-7-19-9-12;17-15-14(16-19-11-5-1-2-6-12(11)20-16)13(22)9-21(15)10-4-3-7-18-8-10;17-16-15(12-8-10-4-1-2-5-11(10)19-12)13(22)9-21(16)14-6-3-7-18-20-14;15-13-12(10(21)7-20(13)11-5-6-16-19-11)14-17-8-3-1-2-4-9(8)18-14/h2-9,20-21,23-24H,10H2,1H3;1-2,4,6,8,12,18-20,22H,3,5,7,9-10H2;1-8,17,22H,9H2,(H,19,20);1-8,17,19,22H,9H2;1-6,15,21H,7H2,(H,16,19)(H,17,18)/b20-19-;18-17-;17-15-;17-16-;15-13-
InChIKeyJXFHSDBJJISCEY-GERSQNGJSA-N
XLogP13.93
TPSA440.94 Ų
H-Bond Donors18
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms111
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001478.66
LogP ≤ 513.93
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol with MolForge

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Related Compounds

3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol
CID 136943284
3-[2-[5-[5-(dimethylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 136943290
3-[2-[5-[5-(ethylaminomethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 136943292
3-fluoro-5-[2-[5-[5-(propan-2-ylamino)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol
CID 136943295
3-[2-[5-[5-[(dimethylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 136943297
3-[2-[5-[5-[(benzylamino)methyl]-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 136943314
3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol
CID 136943318
3-[2-[5-[6-(3-aminoazetidin-1-yl)pyrazin-2-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 136943319
3-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]-5-fluorophenol
CID 136943321
3-fluoro-5-[2-[5-(1-methylpyrazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]phenol
CID 136943340
N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenoxy]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137087283
5-[1-[1-[2-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenoxy]ethyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137087338

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol (CID 158006811) is 4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol is [H]/N=C1/C(c2cc3ccccc3[nH]2)=C(O)CN1C1CCCNC1.[H]/N=C1/C(c2cc3ccccc3[nH]2)=C(O)CN1c1cc(C)cc(O)c1.[H]/N=C1/C(c2cc3ccccc3[nH]2)=C(O)CN1c1cccnn1.[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1c1cccnc1.[H]/N=C1/C(c2nc3ccccc3[nH]2)=C(O)CN1c1ccn[nH]1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol?
The InChIKey is JXFHSDBJJISCEY-GERSQNGJSA-N. The full InChI is InChI=1S/C19H17N3O2.C17H20N4O.2C16H13N5O.C14H12N6O/c1-11-6-13(9-14(23)7-11)22-10-17(24)18(19(22)20)16-8-12-4-2-3-5-15(12)21-16;18-17-16(14-8-11-4-1-2-6-13(11)20-14)15(22)10-21(17)12-5-3-7-19-9-12;17-15-14(16-19-11-5-1-2-6-12(11)20-16)13(22)9-21(15)10-4-3-7-18-8-10;17-16-15(12-8-10-4-1-2-5-11(10)19-12)13(22)9-21(16)14-6-3-7-18-20-14;15-13-12(10(21)7-20(13)11-5-6-16-19-11)14-17-8-3-1-2-4-9(8)18-14/h2-9,20-21,23-24H,10H2,1H3;1-2,4,6,8,12,18-20,22H,3,5,7,9-10H2;1-8,17,22H,9H2,(H,19,20);1-8,17,19,22H,9H2;1-6,15,21H,7H2,(H,16,19)(H,17,18)/b20-19-;18-17-;17-15-;17-16-;15-13-.
What are the key properties of 4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol?
4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol has a molecular weight of 1478.66 g/mol, XLogP of 13.93, 10 rotatable bonds, 18 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-5-imino-1-(1H-pyrazol-5-yl)-2H-pyrrol-3-ol;4-(1H-benzimidazol-2-yl)-5-imino-1-pyridin-3-yl-2H-pyrrol-3-ol;1-(3-hydroxy-5-methylphenyl)-5-imino-4-(1H-indol-2-yl)-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-piperidin-3-yl-2H-pyrrol-3-ol;5-imino-4-(1H-indol-2-yl)-1-pyridazin-3-yl-2H-pyrrol-3-ol is sourced from PubChem (CID 158006811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).