2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole

C21H19N5 — CID 139435850

IUPAC2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole
SMILESCn1cnc(Cn2cc3ccc(Cn4cc5ccccc5n4)cc3c2)c1
InChIInChI=1S/C21H19N5/c1-24-13-20(22-15-24)14-25-10-17-7-6-16(8-19(17)11-25)9-26-12-18-4-2-3-5-21(18)23-26/h2-8,10-13,15H,9,14H2,1H3
InChIKeyXPBIJABHKLEOMQ-UHFFFAOYSA-N
MW341.42 g/mol
LogP3.82
Rot. Bonds4

About 2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole

2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole (PubChem CID 139435850) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole.

Molecular Properties

Compound Name2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole
PubChem CID139435850
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC Name2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole
SMILESCn1cnc(Cn2cc3ccc(Cn4cc5ccccc5n4)cc3c2)c1
InChIInChI=1S/C21H19N5/c1-24-13-20(22-15-24)14-25-10-17-7-6-16(8-19(17)11-25)9-26-12-18-4-2-3-5-21(18)23-26/h2-8,10-13,15H,9,14H2,1H3
InChIKeyXPBIJABHKLEOMQ-UHFFFAOYSA-N
XLogP3.82
TPSA40.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 122650373
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CID 118032839
L 158338
CID 3036053

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole?
The IUPAC name of 2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole (CID 139435850) is 2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole.
What is the SMILES notation for 2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole?
The canonical SMILES for 2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole is Cn1cnc(Cn2cc3ccc(Cn4cc5ccccc5n4)cc3c2)c1.
What is the InChIKey of 2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole?
The InChIKey is XPBIJABHKLEOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-24-13-20(22-15-24)14-25-10-17-7-6-16(8-19(17)11-25)9-26-12-18-4-2-3-5-21(18)23-26/h2-8,10-13,15H,9,14H2,1H3.
What are the key properties of 2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole?
2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole has a molecular weight of 341.42 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(1-methylimidazol-4-yl)methyl]isoindol-5-yl]methyl]indazole is sourced from PubChem (CID 139435850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).