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

C11H14N2 — CID 18216

IUPAC2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccccc1CC1=NCCN1
InChIInChI=1S/C11H14N2/c1-9-4-2-3-5-10(9)8-11-12-6-7-13-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeyADABQLGCWDRNAU-UHFFFAOYSA-N
MW174.25 g/mol
LogP1.54
Rot. Bonds2

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

2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 18216) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID18216
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccccc1CC1=NCCN1
InChIInChI=1S/C11H14N2/c1-9-4-2-3-5-10(9)8-11-12-6-7-13-11/h2-5H,6-8H2,1H3,(H,12,13)
InChIKeyADABQLGCWDRNAU-UHFFFAOYSA-N
XLogP1.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 18216) is 2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole is Cc1ccccc1CC1=NCCN1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is ADABQLGCWDRNAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-9-4-2-3-5-10(9)8-11-12-6-7-13-11/h2-5H,6-8H2,1H3,(H,12,13).
What are the key properties of 2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 174.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 18216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).