1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole

C18H15IN2 — CID 102417941

IUPAC1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole
SMILESIc1nn(Cc2ccccc2)c2c1CCc1ccccc1-2
InChIInChI=1S/C18H15IN2/c19-18-16-11-10-14-8-4-5-9-15(14)17(16)21(20-18)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyNOJZRUIWIRLWNM-UHFFFAOYSA-N
MW386.24 g/mol
LogP4.30
Rot. Bonds2

About 1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole

1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole (PubChem CID 102417941) has the molecular formula C18H15IN2 and a molecular weight of 386.24 g/mol. Its IUPAC name is 1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole
PubChem CID102417941
Molecular FormulaC18H15IN2
Molecular Weight386.24 g/mol
Exact Mass386.03
IUPAC Name1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole
SMILESIc1nn(Cc2ccccc2)c2c1CCc1ccccc1-2
InChIInChI=1S/C18H15IN2/c19-18-16-11-10-14-8-4-5-9-15(14)17(16)21(20-18)12-13-6-2-1-3-7-13/h1-9H,10-12H2
InChIKeyNOJZRUIWIRLWNM-UHFFFAOYSA-N
XLogP4.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.24
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

AS-19
CID 23642275
2-Benzyl-3-phenyl-7-(trifluoromethyl)-2H-indazole
CID 25137977
2-[(2,4-dimethylphenyl)methyl]-3-(4-fluorophenyl)-7-(trifluoromethyl)-2H-indazole
CID 25137978
N,N-dimethyl-5-(1,3,5-trimethylpyrazol-4-yl)-1,2,3,4-tetrahydronaphthalen-2-amine
CID 16759607
3,4,5-triphenyl-lH-pyrazole-1-nonanenitrile
CID 15725752
Pyrazolo(5,1-a)isoquinoline, 5,6-dihydro-2-phenyl-
CID 173777
1-Benzyl-3,5-diphenyl-1H-pyrazole
CID 4624980
1-ethyl-5-[(E)-2-naphthalen-1-ylethenyl]-3-phenylpyrazole-4-carbonitrile
CID 46887123
1-Ethyl-5-(2-naphthalen-1-ylethyl)-3-phenylpyrazole-4-carbonitrile
CID 46887469
2-(4-Fluorophenyl)-5,6-dihydropyrazolo[5,1-a]isoquinoline
CID 101460170
2-(Ethoxymethyl)-3-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g]indazole
CID 134942362
1-Methylbenzo[g]indazole
CID 21609291

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole (CID 102417941) is 1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole is Ic1nn(Cc2ccccc2)c2c1CCc1ccccc1-2.
What is the InChIKey of 1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole?
The InChIKey is NOJZRUIWIRLWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2/c19-18-16-11-10-14-8-4-5-9-15(14)17(16)21(20-18)12-13-6-2-1-3-7-13/h1-9H,10-12H2.
What are the key properties of 1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole?
1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole has a molecular weight of 386.24 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-iodo-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 102417941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).