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

C13H18N2 — CID 3016908

IUPAC2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1cc(C)c(CC2=NCCN2)c(C)c1
InChIInChI=1S/C13H18N2/c1-9-6-10(2)12(11(3)7-9)8-13-14-4-5-15-13/h6-7H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyDUHARNKZLBMPBS-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.16
Rot. Bonds2

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

2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 3016908) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID3016908
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1cc(C)c(CC2=NCCN2)c(C)c1
InChIInChI=1S/C13H18N2/c1-9-6-10(2)12(11(3)7-9)8-13-14-4-5-15-13/h6-7H,4-5,8H2,1-3H3,(H,14,15)
InChIKeyDUHARNKZLBMPBS-UHFFFAOYSA-N
XLogP2.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Xylometazoline
CID 5709
(+-)-Tetrahydrozoline
CID 5419
Naphazoline Hydrochloride
CID 11079
Naphazoline
CID 4436
Tolazoline
CID 5504
Tolazoline Hydrochloride
CID 6048
Tetrahydrozoline Hydrochloride
CID 10648
Xylometazoline Hydrochloride
CID 5282386
Phenyzoline
CID 33273
Beta-naphazoline
CID 610682
2-IMIDAZOLINE, 2-(4-tert-BUTYL-2,6-DIMETHYLBENZYL)-, MONOHYDROCHLORIDE
CID 14634
2-(3-methylphenyl)-4,5-dihydro-1H-imidazole
CID 3746427

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 3016908) is 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole is Cc1cc(C)c(CC2=NCCN2)c(C)c1.
What is the InChIKey of 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is DUHARNKZLBMPBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-9-6-10(2)12(11(3)7-9)8-13-14-4-5-15-13/h6-7H,4-5,8H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 202.30 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trimethylphenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 3016908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).