3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline

C120H100N20O6 — CID 158853893

IUPAC3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline
SMILESC(=C/c1n[nH]c2ccc(-c3ccc4ccncc4c3)cc12)\c1ccccc1.CN1CCN(c2ccc3nc(-c4n[nH]c5ccc(-c6cncc7ccccc67)cc45)[nH]c3c2)CC1.Cc1c(-c2ccc3[nH]nc(/C=C/c4ccccc4)c3c2)ccc(CCCO)c1O.Cc1c(O)cccc1-c1ccc2[nH]nc(-c3nc4c(CO)cccc4[nH]3)c2c1.Cc1c(O)cccc1-c1ccc2[nH]nc(-c3nc4c(O)cccc4[nH]3)c2c1
InChIInChI=1S/C28H25N7.C25H24N2O2.C24H17N3.C22H18N4O2.C21H16N4O2/c1-34-10-12-35(13-11-34)20-7-9-25-26(15-20)31-28(30-25)27-22-14-18(6-8-24(22)32-33-27)23-17-29-16-19-4-2-3-5-21(19)23;1-17-21(12-10-19(25(17)29)8-5-15-28)20-11-14-24-22(16-20)23(26-27-24)13-9-18-6-3-2-4-7-18;1-2-4-17(5-3-1)6-10-23-22-15-20(9-11-24(22)27-26-23)19-8-7-18-12-13-25-16-21(18)14-19;1-12-15(5-3-7-19(12)28)13-8-9-17-16(10-13)21(26-25-17)22-23-18-6-2-4-14(11-27)20(18)24-22;1-11-13(4-2-6-17(11)26)12-8-9-15-14(10-12)19(25-24-15)21-22-16-5-3-7-18(27)20(16)23-21/h2-9,14-17H,10-13H2,1H3,(H,30,31)(H,32,33);2-4,6-7,9-14,16,28-29H,5,8,15H2,1H3,(H,26,27);1-16H,(H,26,27);2-10,27-28H,11H2,1H3,(H,23,24)(H,25,26);2-10,26-27H,1H3,(H,22,23)(H,24,25)/b;13-9+;10-6+;;
InChIKeyIZUJIFJGZFVHGH-BJDINSDOSA-N
MW1918.25 g/mol
LogP25.13
Rot. Bonds17

About 3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline

3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline (PubChem CID 158853893) has the molecular formula C120H100N20O6 and a molecular weight of 1918.25 g/mol. Its IUPAC name is 3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline.

Molecular Properties

Compound Name3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline
PubChem CID158853893
Molecular FormulaC120H100N20O6
Molecular Weight1918.25 g/mol
Exact Mass1916.81
IUPAC Name3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline
SMILESC(=C/c1n[nH]c2ccc(-c3ccc4ccncc4c3)cc12)\c1ccccc1.CN1CCN(c2ccc3nc(-c4n[nH]c5ccc(-c6cncc7ccccc67)cc45)[nH]c3c2)CC1.Cc1c(-c2ccc3[nH]nc(/C=C/c4ccccc4)c3c2)ccc(CCCO)c1O.Cc1c(O)cccc1-c1ccc2[nH]nc(-c3nc4c(CO)cccc4[nH]3)c2c1.Cc1c(O)cccc1-c1ccc2[nH]nc(-c3nc4c(O)cccc4[nH]3)c2c1
InChIInChI=1S/C28H25N7.C25H24N2O2.C24H17N3.C22H18N4O2.C21H16N4O2/c1-34-10-12-35(13-11-34)20-7-9-25-26(15-20)31-28(30-25)27-22-14-18(6-8-24(22)32-33-27)23-17-29-16-19-4-2-3-5-21(19)23;1-17-21(12-10-19(25(17)29)8-5-15-28)20-11-14-24-22(16-20)23(26-27-24)13-9-18-6-3-2-4-7-18;1-2-4-17(5-3-1)6-10-23-22-15-20(9-11-24(22)27-26-23)19-8-7-18-12-13-25-16-21(18)14-19;1-12-15(5-3-7-19(12)28)13-8-9-17-16(10-13)21(26-25-17)22-23-18-6-2-4-14(11-27)20(18)24-22;1-11-13(4-2-6-17(11)26)12-8-9-15-14(10-12)19(25-24-15)21-22-16-5-3-7-18(27)20(16)23-21/h2-9,14-17H,10-13H2,1H3,(H,30,31)(H,32,33);2-4,6-7,9-14,16,28-29H,5,8,15H2,1H3,(H,26,27);1-16H,(H,26,27);2-10,27-28H,11H2,1H3,(H,23,24)(H,25,26);2-10,26-27H,1H3,(H,22,23)(H,24,25)/b;13-9+;10-6+;;
InChIKeyIZUJIFJGZFVHGH-BJDINSDOSA-N
XLogP25.13
TPSA383.08 Ų
H-Bond Donors14
H-Bond Acceptors18
Rotatable Bonds17
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001918.25
LogP ≤ 525.13
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1018

Analyze 3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline?
The IUPAC name of 3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline (CID 158853893) is 3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline.
What is the SMILES notation for 3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline?
The canonical SMILES for 3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline is C(=C/c1n[nH]c2ccc(-c3ccc4ccncc4c3)cc12)\c1ccccc1.CN1CCN(c2ccc3nc(-c4n[nH]c5ccc(-c6cncc7ccccc67)cc45)[nH]c3c2)CC1.Cc1c(-c2ccc3[nH]nc(/C=C/c4ccccc4)c3c2)ccc(CCCO)c1O.Cc1c(O)cccc1-c1ccc2[nH]nc(-c3nc4c(CO)cccc4[nH]3)c2c1.Cc1c(O)cccc1-c1ccc2[nH]nc(-c3nc4c(O)cccc4[nH]3)c2c1.
What is the InChIKey of 3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline?
The InChIKey is IZUJIFJGZFVHGH-BJDINSDOSA-N. The full InChI is InChI=1S/C28H25N7.C25H24N2O2.C24H17N3.C22H18N4O2.C21H16N4O2/c1-34-10-12-35(13-11-34)20-7-9-25-26(15-20)31-28(30-25)27-22-14-18(6-8-24(22)32-33-27)23-17-29-16-19-4-2-3-5-21(19)23;1-17-21(12-10-19(25(17)29)8-5-15-28)20-11-14-24-22(16-20)23(26-27-24)13-9-18-6-3-2-4-7-18;1-2-4-17(5-3-1)6-10-23-22-15-20(9-11-24(22)27-26-23)19-8-7-18-12-13-25-16-21(18)14-19;1-12-15(5-3-7-19(12)28)13-8-9-17-16(10-13)21(26-25-17)22-23-18-6-2-4-14(11-27)20(18)24-22;1-11-13(4-2-6-17(11)26)12-8-9-15-14(10-12)19(25-24-15)21-22-16-5-3-7-18(27)20(16)23-21/h2-9,14-17H,10-13H2,1H3,(H,30,31)(H,32,33);2-4,6-7,9-14,16,28-29H,5,8,15H2,1H3,(H,26,27);1-16H,(H,26,27);2-10,27-28H,11H2,1H3,(H,23,24)(H,25,26);2-10,26-27H,1H3,(H,22,23)(H,24,25)/b;13-9+;10-6+;;.
What are the key properties of 3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline?
3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline has a molecular weight of 1918.25 g/mol, XLogP of 25.13, 17 rotatable bonds, 14 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]-2-methylphenol;2-[5-(3-hydroxy-2-methylphenyl)-1H-indazol-3-yl]-1H-benzimidazol-4-ol;6-(3-hydroxypropyl)-2-methyl-3-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]phenol;4-[3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-5-yl]isoquinoline;7-[3-[(E)-2-phenylethenyl]-1H-indazol-5-yl]isoquinoline is sourced from PubChem (CID 158853893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).