1-(2,2-dimethylpropyl)-2-phenylimidazole

C14H18N2 — CID 21060212

IUPAC1-(2,2-dimethylpropyl)-2-phenylimidazole
SMILESCC(C)(C)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C14H18N2/c1-14(2,3)11-16-10-9-15-13(16)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyTTWUCUJERURGIS-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.60
Rot. Bonds2

About 1-(2,2-dimethylpropyl)-2-phenylimidazole

1-(2,2-dimethylpropyl)-2-phenylimidazole (PubChem CID 21060212) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-2-phenylimidazole.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-2-phenylimidazole
PubChem CID21060212
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-(2,2-dimethylpropyl)-2-phenylimidazole
SMILESCC(C)(C)Cn1ccnc1-c1ccccc1
InChIInChI=1S/C14H18N2/c1-14(2,3)11-16-10-9-15-13(16)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3
InChIKeyTTWUCUJERURGIS-UHFFFAOYSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-(2-phenylimidazol-1-yl)butan-2-ol
CID 114495862
1-(2-phenylimidazol-1-yl)propan-2-ol
CID 58743625
N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine
CID 62566993
2-methyl-N-[2-(2-phenylimidazol-1-yl)ethyl]butan-2-amine
CID 55088185
2-(2-phenylimidazol-1-yl)acetic acid
CID 3145945
2-(2-phenylimidazol-1-yl)acetonitrile
CID 58743635
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
2-methyl-3-(2-phenylimidazol-1-yl)propanenitrile
CID 55139509
1-(2-phenylimidazol-1-yl)butan-2-ol
CID 58743669
2-(2-phenylimidazol-1-yl)ethanethioamide
CID 61069936
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-2-phenylimidazole?
The IUPAC name of 1-(2,2-dimethylpropyl)-2-phenylimidazole (CID 21060212) is 1-(2,2-dimethylpropyl)-2-phenylimidazole.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-2-phenylimidazole?
The canonical SMILES for 1-(2,2-dimethylpropyl)-2-phenylimidazole is CC(C)(C)Cn1ccnc1-c1ccccc1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-2-phenylimidazole?
The InChIKey is TTWUCUJERURGIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-14(2,3)11-16-10-9-15-13(16)12-7-5-4-6-8-12/h4-10H,11H2,1-3H3.
What are the key properties of 1-(2,2-dimethylpropyl)-2-phenylimidazole?
1-(2,2-dimethylpropyl)-2-phenylimidazole has a molecular weight of 214.31 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-2-phenylimidazole is sourced from PubChem (CID 21060212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).