2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole

C14H20N2 — CID 24781714

IUPAC2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCCc1cccc(CC)c1CC1=NCCN1
InChIInChI=1S/C14H20N2/c1-3-11-6-5-7-12(4-2)13(11)10-14-15-8-9-16-14/h5-7H,3-4,8-10H2,1-2H3,(H,15,16)
InChIKeyWYQAIMKBOICTHH-UHFFFAOYSA-N
MW216.33 g/mol
LogP2.36
Rot. Bonds4

About 2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole

2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 24781714) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID24781714
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCCc1cccc(CC)c1CC1=NCCN1
InChIInChI=1S/C14H20N2/c1-3-11-6-5-7-12(4-2)13(11)10-14-15-8-9-16-14/h5-7H,3-4,8-10H2,1-2H3,(H,15,16)
InChIKeyWYQAIMKBOICTHH-UHFFFAOYSA-N
XLogP2.36
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 24781714) is 2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole is CCc1cccc(CC)c1CC1=NCCN1.
What is the InChIKey of 2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WYQAIMKBOICTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-11-6-5-7-12(4-2)13(11)10-14-15-8-9-16-14/h5-7H,3-4,8-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 216.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-diethylphenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 24781714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).