1-(2-methoxy-4-propan-2-ylphenyl)imidazole

C13H16N2O — CID 59583786

IUPAC1-(2-methoxy-4-propan-2-ylphenyl)imidazole
SMILESCOc1cc(C(C)C)ccc1-n1ccnc1
InChIInChI=1S/C13H16N2O/c1-10(2)11-4-5-12(13(8-11)16-3)15-7-6-14-9-15/h4-10H,1-3H3
InChIKeyLWTXBNITFXPRCG-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.00
Rot. Bonds3

About 1-(2-methoxy-4-propan-2-ylphenyl)imidazole

1-(2-methoxy-4-propan-2-ylphenyl)imidazole (PubChem CID 59583786) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(2-methoxy-4-propan-2-ylphenyl)imidazole.

Molecular Properties

Compound Name1-(2-methoxy-4-propan-2-ylphenyl)imidazole
PubChem CID59583786
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(2-methoxy-4-propan-2-ylphenyl)imidazole
SMILESCOc1cc(C(C)C)ccc1-n1ccnc1
InChIInChI=1S/C13H16N2O/c1-10(2)11-4-5-12(13(8-11)16-3)15-7-6-14-9-15/h4-10H,1-3H3
InChIKeyLWTXBNITFXPRCG-UHFFFAOYSA-N
XLogP3.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-(2-methoxy-4-propan-2-ylphenyl)imidazole
CID 67889602
1-(2-methoxy-4-nitrophenyl)imidazole
CID 22459644
1-[2-fluoro-4-(1-methoxyethyl)phenyl]imidazole
CID 155472277
dipotassium;4-imidazol-1-yl-3-methoxybenzaldehyde;carbonate
CID 159846685
(2-imidazol-1-yl-5-propan-2-ylphenyl)methanol;[2-(4-methylimidazol-1-yl)-5-propan-2-ylphenyl]methanol
CID 160972959
1-[4-(dimethoxymethyl)-2-phenylphenyl]imidazole
CID 141225609
2-imidazol-1-yl-5-methoxybenzaldehyde
CID 84670593
2-(3-chloro-4-imidazol-1-ylphenyl)propan-1-ol
CID 117345846
5,8-di(imidazol-1-yl)quinoxaline
CID 132507181
1-benzyl-3-(4-imidazol-1-yl-3-methoxyphenyl)urea
CID 24855667
2-(3-chloro-4-imidazol-1-ylphenyl)propanoic acid
CID 117380058
1-(2-methoxy-4-propan-2-ylphenyl)-N,N-dimethylpiperidin-4-amine
CID 139409848

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)imidazole?
The IUPAC name of 1-(2-methoxy-4-propan-2-ylphenyl)imidazole (CID 59583786) is 1-(2-methoxy-4-propan-2-ylphenyl)imidazole.
What is the SMILES notation for 1-(2-methoxy-4-propan-2-ylphenyl)imidazole?
The canonical SMILES for 1-(2-methoxy-4-propan-2-ylphenyl)imidazole is COc1cc(C(C)C)ccc1-n1ccnc1.
What is the InChIKey of 1-(2-methoxy-4-propan-2-ylphenyl)imidazole?
The InChIKey is LWTXBNITFXPRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-10(2)11-4-5-12(13(8-11)16-3)15-7-6-14-9-15/h4-10H,1-3H3.
What are the key properties of 1-(2-methoxy-4-propan-2-ylphenyl)imidazole?
1-(2-methoxy-4-propan-2-ylphenyl)imidazole has a molecular weight of 216.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-propan-2-ylphenyl)imidazole is sourced from PubChem (CID 59583786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).