2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole

C19H19ClN6 — CID 135820212

IUPAC2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCN1CCN(c2ccc3nc(-c4n[nH]c5cc(Cl)ccc45)[nH]c3c2)CC1
InChIInChI=1S/C19H19ClN6/c1-25-6-8-26(9-7-25)13-3-5-15-17(11-13)22-19(21-15)18-14-4-2-12(20)10-16(14)23-24-18/h2-5,10-11H,6-9H2,1H3,(H,21,22)(H,23,24)
InChIKeyLGOJZROOKAAHHE-UHFFFAOYSA-N
MW366.86 g/mol
LogP3.51
Rot. Bonds2

About 2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole

2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 135820212) has the molecular formula C19H19ClN6 and a molecular weight of 366.86 g/mol. Its IUPAC name is 2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
PubChem CID135820212
Molecular FormulaC19H19ClN6
Molecular Weight366.86 g/mol
Exact Mass366.14
IUPAC Name2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCN1CCN(c2ccc3nc(-c4n[nH]c5cc(Cl)ccc45)[nH]c3c2)CC1
InChIInChI=1S/C19H19ClN6/c1-25-6-8-26(9-7-25)13-3-5-15-17(11-13)22-19(21-15)18-14-4-2-12(20)10-16(14)23-24-18/h2-5,10-11H,6-9H2,1H3,(H,21,22)(H,23,24)
InChIKeyLGOJZROOKAAHHE-UHFFFAOYSA-N
XLogP3.51
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.86
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole (CID 135820212) is 2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole is CN1CCN(c2ccc3nc(-c4n[nH]c5cc(Cl)ccc45)[nH]c3c2)CC1.
What is the InChIKey of 2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is LGOJZROOKAAHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6/c1-25-6-8-26(9-7-25)13-3-5-15-17(11-13)22-19(21-15)18-14-4-2-12(20)10-16(14)23-24-18/h2-5,10-11H,6-9H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole?
2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 366.86 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indazol-3-yl)-6-(4-methylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 135820212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).