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

C19H19BrN6 — CID 135980293

IUPAC2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(Br)ccc45)nc23)CC1
InChIInChI=1S/C19H19BrN6/c1-25-7-9-26(10-8-25)16-4-2-3-14-18(16)22-19(21-14)17-13-6-5-12(20)11-15(13)23-24-17/h2-6,11H,7-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyALZGZXUCSFBLTR-UHFFFAOYSA-N
MW411.31 g/mol
LogP3.62
Rot. Bonds2

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

2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole (PubChem CID 135980293) has the molecular formula C19H19BrN6 and a molecular weight of 411.31 g/mol. Its IUPAC name is 2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
PubChem CID135980293
Molecular FormulaC19H19BrN6
Molecular Weight411.31 g/mol
Exact Mass410.09
IUPAC Name2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole
SMILESCN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(Br)ccc45)nc23)CC1
InChIInChI=1S/C19H19BrN6/c1-25-7-9-26(10-8-25)16-4-2-3-14-18(16)22-19(21-14)17-13-6-5-12(20)11-15(13)23-24-17/h2-6,11H,7-10H2,1H3,(H,21,22)(H,23,24)
InChIKeyALZGZXUCSFBLTR-UHFFFAOYSA-N
XLogP3.62
TPSA63.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.31
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The IUPAC name of 2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole (CID 135980293) is 2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The canonical SMILES for 2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole is CN1CCN(c2cccc3[nH]c(-c4n[nH]c5cc(Br)ccc45)nc23)CC1.
What is the InChIKey of 2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole?
The InChIKey is ALZGZXUCSFBLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN6/c1-25-7-9-26(10-8-25)16-4-2-3-14-18(16)22-19(21-14)17-13-6-5-12(20)11-15(13)23-24-17/h2-6,11H,7-10H2,1H3,(H,21,22)(H,23,24).
What are the key properties of 2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole?
2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole has a molecular weight of 411.31 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-1H-indazol-3-yl)-4-(4-methylpiperazin-1-yl)-1H-benzimidazole is sourced from PubChem (CID 135980293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).