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

C14H18N2 — CID 24781869

IUPAC2-[(2,6-diethylphenyl)methyl]-1H-imidazole
SMILESCCc1cccc(CC)c1Cc1ncc[nH]1
InChIInChI=1S/C14H18N2/c1-3-11-6-5-7-12(4-2)13(11)10-14-15-8-9-16-14/h5-9H,3-4,10H2,1-2H3,(H,15,16)
InChIKeyNIRASHDWADNQJU-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.13
Rot. Bonds4

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

2-[(2,6-diethylphenyl)methyl]-1H-imidazole (PubChem CID 24781869) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(2,6-diethylphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(2,6-diethylphenyl)methyl]-1H-imidazole
PubChem CID24781869
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-[(2,6-diethylphenyl)methyl]-1H-imidazole
SMILESCCc1cccc(CC)c1Cc1ncc[nH]1
InChIInChI=1S/C14H18N2/c1-3-11-6-5-7-12(4-2)13(11)10-14-15-8-9-16-14/h5-9H,3-4,10H2,1-2H3,(H,15,16)
InChIKeyNIRASHDWADNQJU-UHFFFAOYSA-N
XLogP3.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-diethylphenyl)methyl]-1H-imidazole?
The IUPAC name of 2-[(2,6-diethylphenyl)methyl]-1H-imidazole (CID 24781869) is 2-[(2,6-diethylphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(2,6-diethylphenyl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(2,6-diethylphenyl)methyl]-1H-imidazole is CCc1cccc(CC)c1Cc1ncc[nH]1.
What is the InChIKey of 2-[(2,6-diethylphenyl)methyl]-1H-imidazole?
The InChIKey is NIRASHDWADNQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-3-11-6-5-7-12(4-2)13(11)10-14-15-8-9-16-14/h5-9H,3-4,10H2,1-2H3,(H,15,16).
What are the key properties of 2-[(2,6-diethylphenyl)methyl]-1H-imidazole?
2-[(2,6-diethylphenyl)methyl]-1H-imidazole has a molecular weight of 214.31 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-diethylphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 24781869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).