2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole

C18H18N2 — CID 146609324

IUPAC2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole
SMILESC[C@H]1Cc2ccc(Cn3cc4ccccc4n3)cc2C1
InChIInChI=1S/C18H18N2/c1-13-8-15-7-6-14(10-17(15)9-13)11-20-12-16-4-2-3-5-18(16)19-20/h2-7,10,12-13H,8-9,11H2,1H3/t13-/m0/s1
InChIKeySGFHTBRCIVBXBT-ZDUSSCGKSA-N
MW262.36 g/mol
LogP3.82
Rot. Bonds2

About 2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole

2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole (PubChem CID 146609324) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole.

Molecular Properties

Compound Name2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole
PubChem CID146609324
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole
SMILESC[C@H]1Cc2ccc(Cn3cc4ccccc4n3)cc2C1
InChIInChI=1S/C18H18N2/c1-13-8-15-7-6-14(10-17(15)9-13)11-20-12-16-4-2-3-5-18(16)19-20/h2-7,10,12-13H,8-9,11H2,1H3/t13-/m0/s1
InChIKeySGFHTBRCIVBXBT-ZDUSSCGKSA-N
XLogP3.82
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole?
The IUPAC name of 2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole (CID 146609324) is 2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole.
What is the SMILES notation for 2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole?
The canonical SMILES for 2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole is C[C@H]1Cc2ccc(Cn3cc4ccccc4n3)cc2C1.
What is the InChIKey of 2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole?
The InChIKey is SGFHTBRCIVBXBT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18N2/c1-13-8-15-7-6-14(10-17(15)9-13)11-20-12-16-4-2-3-5-18(16)19-20/h2-7,10,12-13H,8-9,11H2,1H3/t13-/m0/s1.
What are the key properties of 2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole?
2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole has a molecular weight of 262.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-methyl-2,3-dihydro-1H-inden-5-yl]methyl]indazole is sourced from PubChem (CID 146609324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).