5-(5-tert-butyl-2-methylphenyl)-1H-imidazole

C14H18N2 — CID 82078469

IUPAC5-(5-tert-butyl-2-methylphenyl)-1H-imidazole
SMILESCc1ccc(C(C)(C)C)cc1-c1cnc[nH]1
InChIInChI=1S/C14H18N2/c1-10-5-6-11(14(2,3)4)7-12(10)13-8-15-9-16-13/h5-9H,1-4H3,(H,15,16)
InChIKeyVBMKVJQQLZBOLE-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.68
Rot. Bonds1

About 5-(5-tert-butyl-2-methylphenyl)-1H-imidazole

5-(5-tert-butyl-2-methylphenyl)-1H-imidazole (PubChem CID 82078469) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-(5-tert-butyl-2-methylphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(5-tert-butyl-2-methylphenyl)-1H-imidazole
PubChem CID82078469
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name5-(5-tert-butyl-2-methylphenyl)-1H-imidazole
SMILESCc1ccc(C(C)(C)C)cc1-c1cnc[nH]1
InChIInChI=1S/C14H18N2/c1-10-5-6-11(14(2,3)4)7-12(10)13-8-15-9-16-13/h5-9H,1-4H3,(H,15,16)
InChIKeyVBMKVJQQLZBOLE-UHFFFAOYSA-N
XLogP3.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(5-tert-butyl-2-methylphenyl)-2-chloro-1H-imidazole
CID 116884375
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 95474591
2-[5-(5-tert-butyl-2-methylphenyl)-1H-imidazol-2-yl]ethanamine
CID 82300135
5-[4-(1H-imidazol-5-yl)-2,6-dimethylnaphthalen-1-yl]-1H-imidazole
CID 169050221
3-(1H-imidazol-5-yl)-4,5-dimethylpyridine
CID 20580692
5-(4-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-1H-imidazole;molecular hydrogen;propane
CID 144633819
5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole
CID 116868799
5-(5-tert-butyl-2-methylphenyl)-1,2-oxazole-4-carboxylic acid
CID 82301029
2-(5-tert-butyl-2-methylphenyl)-1H-quinolin-4-one
CID 169256966
5-[4-(2,4-dimethylpentan-2-yl)phenyl]-1H-imidazole
CID 123757908
2-[5-(5-tert-butyl-2-methylphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82134589
4-(5-tert-butyl-2-methylphenyl)-1-methylimidazole
CID 82081404

Frequently Asked Questions

What is the IUPAC name of 5-(5-tert-butyl-2-methylphenyl)-1H-imidazole?
The IUPAC name of 5-(5-tert-butyl-2-methylphenyl)-1H-imidazole (CID 82078469) is 5-(5-tert-butyl-2-methylphenyl)-1H-imidazole.
What is the SMILES notation for 5-(5-tert-butyl-2-methylphenyl)-1H-imidazole?
The canonical SMILES for 5-(5-tert-butyl-2-methylphenyl)-1H-imidazole is Cc1ccc(C(C)(C)C)cc1-c1cnc[nH]1.
What is the InChIKey of 5-(5-tert-butyl-2-methylphenyl)-1H-imidazole?
The InChIKey is VBMKVJQQLZBOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-10-5-6-11(14(2,3)4)7-12(10)13-8-15-9-16-13/h5-9H,1-4H3,(H,15,16).
What are the key properties of 5-(5-tert-butyl-2-methylphenyl)-1H-imidazole?
5-(5-tert-butyl-2-methylphenyl)-1H-imidazole has a molecular weight of 214.31 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-tert-butyl-2-methylphenyl)-1H-imidazole is sourced from PubChem (CID 82078469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).