2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole

C16H20N2 — CID 11694399

IUPAC2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole
SMILESC[C@@H]1C[C@]2(C)c3ccccc3C[C@]12C1=NCCN1
InChIInChI=1S/C16H20N2/c1-11-9-15(2)13-6-4-3-5-12(13)10-16(11,15)14-17-7-8-18-14/h3-6,11H,7-10H2,1-2H3,(H,17,18)/t11-,15-,16-/m1/s1
InChIKeySQHCYPIYGKOXNR-HFBAOOFYSA-N
MW240.35 g/mol
LogP2.53
Rot. Bonds1

About 2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole

2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole (PubChem CID 11694399) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole
PubChem CID11694399
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole
SMILESC[C@@H]1C[C@]2(C)c3ccccc3C[C@]12C1=NCCN1
InChIInChI=1S/C16H20N2/c1-11-9-15(2)13-6-4-3-5-12(13)10-16(11,15)14-17-7-8-18-14/h3-6,11H,7-10H2,1-2H3,(H,17,18)/t11-,15-,16-/m1/s1
InChIKeySQHCYPIYGKOXNR-HFBAOOFYSA-N
XLogP2.53
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole (CID 11694399) is 2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole is C[C@@H]1C[C@]2(C)c3ccccc3C[C@]12C1=NCCN1.
What is the InChIKey of 2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is SQHCYPIYGKOXNR-HFBAOOFYSA-N. The full InChI is InChI=1S/C16H20N2/c1-11-9-15(2)13-6-4-3-5-12(13)10-16(11,15)14-17-7-8-18-14/h3-6,11H,7-10H2,1-2H3,(H,17,18)/t11-,15-,16-/m1/s1.
What are the key properties of 2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole?
2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 240.35 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2aR,7aS)-1,2a-dimethyl-2,7-dihydro-1H-cyclobuta[a]inden-7a-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 11694399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).