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

C25H24N6O — CID 135928472

IUPAC4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc(O)cc6)ccc45)nc23)CC1
InChIInChI=1S/C25H24N6O/c1-30-11-13-31(14-12-30)22-4-2-3-20-24(22)27-25(26-20)23-19-10-7-17(15-21(19)28-29-23)16-5-8-18(32)9-6-16/h2-10,15,32H,11-14H2,1H3,(H,26,27)(H,28,29)
InChIKeyIAHVSHNBRRKKBX-UHFFFAOYSA-N
MW424.51 g/mol
LogP4.23
Rot. Bonds3

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

4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol (PubChem CID 135928472) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol.

Molecular Properties

Compound Name4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
PubChem CID135928472
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc(O)cc6)ccc45)nc23)CC1
InChIInChI=1S/C25H24N6O/c1-30-11-13-31(14-12-30)22-4-2-3-20-24(22)27-25(26-20)23-19-10-7-17(15-21(19)28-29-23)16-5-8-18(32)9-6-16/h2-10,15,32H,11-14H2,1H3,(H,26,27)(H,28,29)
InChIKeyIAHVSHNBRRKKBX-UHFFFAOYSA-N
XLogP4.23
TPSA84.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.23
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]phenol?
The IUPAC name of 4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol (CID 135928472) is 4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol.
What is the SMILES notation for 4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
The canonical SMILES for 4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol is CN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(-c6ccc(O)cc6)ccc45)nc23)CC1.
What is the InChIKey of 4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
The InChIKey is IAHVSHNBRRKKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-30-11-13-31(14-12-30)22-4-2-3-20-24(22)27-25(26-20)23-19-10-7-17(15-21(19)28-29-23)16-5-8-18(32)9-6-16/h2-10,15,32H,11-14H2,1H3,(H,26,27)(H,28,29).
What are the key properties of 4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol?
4-[3-[4-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-indazol-6-yl]phenol has a molecular weight of 424.51 g/mol, XLogP of 4.23, 3 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]phenol is sourced from PubChem (CID 135928472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).