[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol

C26H26N6O — CID 135928473

IUPAC[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc(CO)cc6)ccc45)nc23)CC1
InChIInChI=1S/C26H26N6O/c1-31-11-13-32(14-12-31)23-4-2-3-21-25(23)28-26(27-21)24-20-10-9-19(15-22(20)29-30-24)18-7-5-17(16-33)6-8-18/h2-10,15,33H,11-14,16H2,1H3,(H,27,28)(H,29,30)
InChIKeyXJMUQSPFRGDRSM-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.02
Rot. Bonds4

About [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol

[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol (PubChem CID 135928473) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol.

Molecular Properties

Compound Name[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol
PubChem CID135928473
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc(CO)cc6)ccc45)nc23)CC1
InChIInChI=1S/C26H26N6O/c1-31-11-13-32(14-12-31)23-4-2-3-21-25(23)28-26(27-21)24-20-10-9-19(15-22(20)29-30-24)18-7-5-17(16-33)6-8-18/h2-10,15,33H,11-14,16H2,1H3,(H,27,28)(H,29,30)
InChIKeyXJMUQSPFRGDRSM-UHFFFAOYSA-N
XLogP4.02
TPSA84.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol?
The IUPAC name of [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol (CID 135928473) is [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol.
What is the SMILES notation for [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol?
The canonical SMILES for [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol is CN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc(CO)cc6)ccc45)nc23)CC1.
What is the InChIKey of [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol?
The InChIKey is XJMUQSPFRGDRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-31-11-13-32(14-12-31)23-4-2-3-21-25(23)28-26(27-21)24-20-10-9-19(15-22(20)29-30-24)18-7-5-17(16-33)6-8-18/h2-10,15,33H,11-14,16H2,1H3,(H,27,28)(H,29,30).
What are the key properties of [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol?
[4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol has a molecular weight of 438.54 g/mol, XLogP of 4.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenyl]methanol is sourced from PubChem (CID 135928473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).