2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole

C16H20N2 — CID 56873099

IUPAC2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole
SMILESCC(C)(C)c1nccn1C1Cc2ccccc2C1
InChIInChI=1S/C16H20N2/c1-16(2,3)15-17-8-9-18(15)14-10-12-6-4-5-7-13(12)11-14/h4-9,14H,10-11H2,1-3H3
InChIKeyZUBBDHLBIGIOEI-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.52
Rot. Bonds1

About 2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole

2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole (PubChem CID 56873099) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole.

Molecular Properties

Compound Name2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole
PubChem CID56873099
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole
SMILESCC(C)(C)c1nccn1C1Cc2ccccc2C1
InChIInChI=1S/C16H20N2/c1-16(2,3)15-17-8-9-18(15)14-10-12-6-4-5-7-13(12)11-14/h4-9,14H,10-11H2,1-3H3
InChIKeyZUBBDHLBIGIOEI-UHFFFAOYSA-N
XLogP3.52
TPSA17.82 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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole?
The IUPAC name of 2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole (CID 56873099) is 2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole.
What is the SMILES notation for 2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole?
The canonical SMILES for 2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole is CC(C)(C)c1nccn1C1Cc2ccccc2C1.
What is the InChIKey of 2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole?
The InChIKey is ZUBBDHLBIGIOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-16(2,3)15-17-8-9-18(15)14-10-12-6-4-5-7-13(12)11-14/h4-9,14H,10-11H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole?
2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole has a molecular weight of 240.35 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2,3-dihydro-1H-inden-2-yl)imidazole is sourced from PubChem (CID 56873099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).