2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole

C18H16N2 — CID 15263230

IUPAC2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole
SMILESCn1nc2c(c1-c1ccccc1)CCc1ccccc1-2
InChIInChI=1S/C18H16N2/c1-20-18(14-8-3-2-4-9-14)16-12-11-13-7-5-6-10-15(13)17(16)19-20/h2-10H,11-12H2,1H3
InChIKeyUAZGAZPRMSQXBE-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.85
Rot. Bonds1

About 2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole

2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole (PubChem CID 15263230) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole
PubChem CID15263230
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole
SMILESCn1nc2c(c1-c1ccccc1)CCc1ccccc1-2
InChIInChI=1S/C18H16N2/c1-20-18(14-8-3-2-4-9-14)16-12-11-13-7-5-6-10-15(13)17(16)19-20/h2-10H,11-12H2,1H3
InChIKeyUAZGAZPRMSQXBE-UHFFFAOYSA-N
XLogP3.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15453871
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1h-Pyrazolo[4,3-c]pyridine,3-(4-fluorophenyl)-4,5,6,7-tetrahydro-5-(1-methylethyl)-1-(phenylmethyl)-
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3-(4-fluorophenyl)-5-methyl-1-(1-phenylethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole (CID 15263230) is 2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole is Cn1nc2c(c1-c1ccccc1)CCc1ccccc1-2.
What is the InChIKey of 2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole?
The InChIKey is UAZGAZPRMSQXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-20-18(14-8-3-2-4-9-14)16-12-11-13-7-5-6-10-15(13)17(16)19-20/h2-10H,11-12H2,1H3.
What are the key properties of 2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole?
2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole has a molecular weight of 260.34 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 15263230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).