ethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole

C20H32N2 — CID 91587404

IUPACethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole
SMILESCC.CC.CCC1CC(C)(Cc2cnc[nH]2)c2ccccc21
InChIInChI=1S/C16H20N2.2C2H6/c1-3-12-8-16(2,9-13-10-17-11-18-13)15-7-5-4-6-14(12)15;2*1-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,17,18);2*1-2H3
InChIKeyAUIVABGFSFXKKO-UHFFFAOYSA-N
MW300.49 g/mol
LogP5.86
Rot. Bonds3

About ethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole

ethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole (PubChem CID 91587404) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is ethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole.

Molecular Properties

Compound Nameethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole
PubChem CID91587404
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Nameethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole
SMILESCC.CC.CCC1CC(C)(Cc2cnc[nH]2)c2ccccc21
InChIInChI=1S/C16H20N2.2C2H6/c1-3-12-8-16(2,9-13-10-17-11-18-13)15-7-5-4-6-14(12)15;2*1-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,17,18);2*1-2H3
InChIKeyAUIVABGFSFXKKO-UHFFFAOYSA-N
XLogP5.86
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole?
The IUPAC name of ethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole (CID 91587404) is ethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole.
What is the SMILES notation for ethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole?
The canonical SMILES for ethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole is CC.CC.CCC1CC(C)(Cc2cnc[nH]2)c2ccccc21.
What is the InChIKey of ethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole?
The InChIKey is AUIVABGFSFXKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2.2C2H6/c1-3-12-8-16(2,9-13-10-17-11-18-13)15-7-5-4-6-14(12)15;2*1-2/h4-7,10-12H,3,8-9H2,1-2H3,(H,17,18);2*1-2H3.
What are the key properties of ethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole?
ethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole has a molecular weight of 300.49 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(3-ethyl-1-methyl-2,3-dihydroinden-1-yl)methyl]-1H-imidazole is sourced from PubChem (CID 91587404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).