2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole

C16H24N2 — CID 58951908

IUPAC2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESCC(C)c1cccc(C(C)C)c1CC1=NCCN1
InChIInChI=1S/C16H24N2/c1-11(2)13-6-5-7-14(12(3)4)15(13)10-16-17-8-9-18-16/h5-7,11-12H,8-10H2,1-4H3,(H,17,18)
InChIKeyDKKUTAXDUDGAMK-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.48
Rot. Bonds4

About 2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole

2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole (PubChem CID 58951908) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole
PubChem CID58951908
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole
SMILESCC(C)c1cccc(C(C)C)c1CC1=NCCN1
InChIInChI=1S/C16H24N2/c1-11(2)13-6-5-7-14(12(3)4)15(13)10-16-17-8-9-18-16/h5-7,11-12H,8-10H2,1-4H3,(H,17,18)
InChIKeyDKKUTAXDUDGAMK-UHFFFAOYSA-N
XLogP3.48
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole (CID 58951908) is 2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole is CC(C)c1cccc(C(C)C)c1CC1=NCCN1.
What is the InChIKey of 2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is DKKUTAXDUDGAMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11(2)13-6-5-7-14(12(3)4)15(13)10-16-17-8-9-18-16/h5-7,11-12H,8-10H2,1-4H3,(H,17,18).
What are the key properties of 2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole?
2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 244.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,6-di(propan-2-yl)phenyl]methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 58951908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).