1-[2-(2,2-dimethylpropyl)phenyl]imidazole

C14H18N2 — CID 169321927

IUPAC1-[2-(2,2-dimethylpropyl)phenyl]imidazole
SMILESCC(C)(C)Cc1ccccc1-n1ccnc1
InChIInChI=1S/C14H18N2/c1-14(2,3)10-12-6-4-5-7-13(12)16-9-8-15-11-16/h4-9,11H,10H2,1-3H3
InChIKeyCTJFFOXWYAWTPR-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.46
Rot. Bonds2

About 1-[2-(2,2-dimethylpropyl)phenyl]imidazole

1-[2-(2,2-dimethylpropyl)phenyl]imidazole (PubChem CID 169321927) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropyl)phenyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropyl)phenyl]imidazole
PubChem CID169321927
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-[2-(2,2-dimethylpropyl)phenyl]imidazole
SMILESCC(C)(C)Cc1ccccc1-n1ccnc1
InChIInChI=1S/C14H18N2/c1-14(2,3)10-12-6-4-5-7-13(12)16-9-8-15-11-16/h4-9,11H,10H2,1-3H3
InChIKeyCTJFFOXWYAWTPR-UHFFFAOYSA-N
XLogP3.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2-imidazol-1-ylphenyl)methyl]-2-methylpropan-2-amine
CID 63071920
1-(2-imidazol-1-ylphenyl)-N,N-dimethylmethanamine
CID 175241925
1-[2-(methylsulfanylmethyl)phenyl]imidazole;hydrobromide
CID 162319844
N-[(2-ethylphenyl)methyl]-2-imidazol-1-ylaniline
CID 62392271
2-ethyl-6-imidazol-1-ylaniline
CID 84661065
N-(2-ethylbutyl)-2-imidazol-1-ylaniline
CID 43673499
1-tert-butyl-3-ethyl-2-[(2-imidazol-1-ylphenyl)methyl]guanidine;hydroiodide
CID 110967209
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
CID 141435532
bis(1-[2-(methylsulfanylmethyl)phenyl]imidazole);oxalic acid
CID 162028325
1-[2-(isocyanatomethyl)phenyl]imidazole
CID 117288380
N'-tert-butyl-N-(2-imidazol-1-ylphenyl)ethane-1,2-diamine
CID 107444874
1-(2-imidazol-1-ylphenyl)propan-1-one
CID 18474619

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropyl)phenyl]imidazole?
The IUPAC name of 1-[2-(2,2-dimethylpropyl)phenyl]imidazole (CID 169321927) is 1-[2-(2,2-dimethylpropyl)phenyl]imidazole.
What is the SMILES notation for 1-[2-(2,2-dimethylpropyl)phenyl]imidazole?
The canonical SMILES for 1-[2-(2,2-dimethylpropyl)phenyl]imidazole is CC(C)(C)Cc1ccccc1-n1ccnc1.
What is the InChIKey of 1-[2-(2,2-dimethylpropyl)phenyl]imidazole?
The InChIKey is CTJFFOXWYAWTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2,3)10-12-6-4-5-7-13(12)16-9-8-15-11-16/h4-9,11H,10H2,1-3H3.
What are the key properties of 1-[2-(2,2-dimethylpropyl)phenyl]imidazole?
1-[2-(2,2-dimethylpropyl)phenyl]imidazole has a molecular weight of 214.31 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropyl)phenyl]imidazole is sourced from PubChem (CID 169321927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).