2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole

C16H24N2 — CID 5709

IUPAC2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1
InChIInChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyHUCJFAOMUPXHDK-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.15
Rot. Bonds2

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

2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 5709) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID5709
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1
InChIInChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18)
InChIKeyHUCJFAOMUPXHDK-UHFFFAOYSA-N
XLogP3.15
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(+-)-Tetrahydrozoline
CID 5419
Naphazoline
CID 4436
Tetrahydrozoline Hydrochloride
CID 10648
Tolazoline
CID 5504
Xylometazoline Hydrochloride
CID 5282386
Cibenzoline
CID 2747
Beta-naphazoline
CID 610682
2-IMIDAZOLINE, 2-(4-tert-BUTYL-2,6-DIMETHYLBENZYL)-, MONOHYDROCHLORIDE
CID 14634
Napamezole
CID 55718
Napamezole Hydrochloride
CID 3033727
2-(2,6-Dimethyl-benzyl)-4,5-dihydro-1H-imidazole
CID 24782016
2-(4-tert-Butylphenyl)-4,5-dihydro-1H-imidazole
CID 44269078

Frequently Asked Questions

What is the IUPAC name of 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole (CID 5709) is 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole is Cc1cc(C(C)(C)C)cc(C)c1CC1=NCCN1.
What is the InChIKey of 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is HUCJFAOMUPXHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-11-8-13(16(3,4)5)9-12(2)14(11)10-15-17-6-7-18-15/h8-9H,6-7,10H2,1-5H3,(H,17,18).
What are the key properties of 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole?
2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 244.38 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-tert-butyl-2,6-dimethylphenyl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 5709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).