2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole

C24H28N4 — CID 18706794

IUPAC2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole
SMILESCn1nc2c(c1N1CCN(CCc3ccccc3)CC1)CCc1ccccc1-2
InChIInChI=1S/C24H28N4/c1-26-24(22-12-11-20-9-5-6-10-21(20)23(22)25-26)28-17-15-27(16-18-28)14-13-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
InChIKeyTUKWRZBWCAKHIZ-UHFFFAOYSA-N
MW372.52 g/mol
LogP3.55
Rot. Bonds4

About 2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole

2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole (PubChem CID 18706794) has the molecular formula C24H28N4 and a molecular weight of 372.52 g/mol. Its IUPAC name is 2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole
PubChem CID18706794
Molecular FormulaC24H28N4
Molecular Weight372.52 g/mol
Exact Mass372.23
IUPAC Name2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole
SMILESCn1nc2c(c1N1CCN(CCc3ccccc3)CC1)CCc1ccccc1-2
InChIInChI=1S/C24H28N4/c1-26-24(22-12-11-20-9-5-6-10-21(20)23(22)25-26)28-17-15-27(16-18-28)14-13-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3
InChIKeyTUKWRZBWCAKHIZ-UHFFFAOYSA-N
XLogP3.55
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.52
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole (CID 18706794) is 2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole is Cn1nc2c(c1N1CCN(CCc3ccccc3)CC1)CCc1ccccc1-2.
What is the InChIKey of 2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole?
The InChIKey is TUKWRZBWCAKHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4/c1-26-24(22-12-11-20-9-5-6-10-21(20)23(22)25-26)28-17-15-27(16-18-28)14-13-19-7-3-2-4-8-19/h2-10H,11-18H2,1H3.
What are the key properties of 2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole?
2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole has a molecular weight of 372.52 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(2-phenylethyl)piperazin-1-yl]-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 18706794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).