2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole

C16H20N2 — CID 135460000

IUPAC2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole
SMILESCC1=C(C)N(C)C(C2=C3C=CC=CC3C=C2)N1C
InChIInChI=1S/C16H20N2/c1-11-12(2)18(4)16(17(11)3)15-10-9-13-7-5-6-8-14(13)15/h5-10,13,16H,1-4H3
InChIKeyYBIQQXFZXVLJAE-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.05
Rot. Bonds1

About 2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole

2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole (PubChem CID 135460000) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole.

Molecular Properties

Compound Name2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole
PubChem CID135460000
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole
SMILESCC1=C(C)N(C)C(C2=C3C=CC=CC3C=C2)N1C
InChIInChI=1S/C16H20N2/c1-11-12(2)18(4)16(17(11)3)15-10-9-13-7-5-6-8-14(13)15/h5-10,13,16H,1-4H3
InChIKeyYBIQQXFZXVLJAE-UHFFFAOYSA-N
XLogP3.05
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole?
The IUPAC name of 2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole (CID 135460000) is 2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole.
What is the SMILES notation for 2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole?
The canonical SMILES for 2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole is CC1=C(C)N(C)C(C2=C3C=CC=CC3C=C2)N1C.
What is the InChIKey of 2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole?
The InChIKey is YBIQQXFZXVLJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-12(2)18(4)16(17(11)3)15-10-9-13-7-5-6-8-14(13)15/h5-10,13,16H,1-4H3.
What are the key properties of 2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole?
2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole has a molecular weight of 240.35 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3aH-inden-1-yl)-1,3,4,5-tetramethyl-2H-imidazole is sourced from PubChem (CID 135460000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).