1-benzyl-4,5-dihydrobenzo[g]indazole

C18H16N2 — CID 134834345

IUPAC1-benzyl-4,5-dihydrobenzo[g]indazole
SMILESc1ccc(Cn2ncc3c2-c2ccccc2CC3)cc1
InChIInChI=1S/C18H16N2/c1-2-6-14(7-3-1)13-20-18-16(12-19-20)11-10-15-8-4-5-9-17(15)18/h1-9,12H,10-11,13H2
InChIKeyCUBLAYLGCDGBAP-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.70
Rot. Bonds2

About 1-benzyl-4,5-dihydrobenzo[g]indazole

1-benzyl-4,5-dihydrobenzo[g]indazole (PubChem CID 134834345) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-benzyl-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name1-benzyl-4,5-dihydrobenzo[g]indazole
PubChem CID134834345
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name1-benzyl-4,5-dihydrobenzo[g]indazole
SMILESc1ccc(Cn2ncc3c2-c2ccccc2CC3)cc1
InChIInChI=1S/C18H16N2/c1-2-6-14(7-3-1)13-20-18-16(12-19-20)11-10-15-8-4-5-9-17(15)18/h1-9,12H,10-11,13H2
InChIKeyCUBLAYLGCDGBAP-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 1-benzyl-4,5-dihydrobenzo[g]indazole (CID 134834345) is 1-benzyl-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 1-benzyl-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 1-benzyl-4,5-dihydrobenzo[g]indazole is c1ccc(Cn2ncc3c2-c2ccccc2CC3)cc1.
What is the InChIKey of 1-benzyl-4,5-dihydrobenzo[g]indazole?
The InChIKey is CUBLAYLGCDGBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-2-6-14(7-3-1)13-20-18-16(12-19-20)11-10-15-8-4-5-9-17(15)18/h1-9,12H,10-11,13H2.
What are the key properties of 1-benzyl-4,5-dihydrobenzo[g]indazole?
1-benzyl-4,5-dihydrobenzo[g]indazole has a molecular weight of 260.34 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 134834345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).