5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole

C13H16N2O — CID 82078805

IUPAC5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole
SMILESCOc1ccc(-c2cnc[nH]2)cc1C(C)C
InChIInChI=1S/C13H16N2O/c1-9(2)11-6-10(4-5-13(11)16-3)12-7-14-8-15-12/h4-9H,1-3H3,(H,14,15)
InChIKeyBXZCTHALOOFUJL-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.21
Rot. Bonds3

About 5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole

5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole (PubChem CID 82078805) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole
PubChem CID82078805
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole
SMILESCOc1ccc(-c2cnc[nH]2)cc1C(C)C
InChIInChI=1S/C13H16N2O/c1-9(2)11-6-10(4-5-13(11)16-3)12-7-14-8-15-12/h4-9H,1-3H3,(H,14,15)
InChIKeyBXZCTHALOOFUJL-UHFFFAOYSA-N
XLogP3.21
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrazole
CID 82113820
5-(4-methoxy-3-propan-2-ylphenyl)-1H-pyrimidin-2-one
CID 82118050
1-[5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazol-2-yl]-N-methylmethanamine
CID 95466155
5-(4-methoxy-3-propan-2-ylphenyl)-N-methylpyrimidin-2-amine
CID 116976965
5-(4-methoxy-3-propan-2-ylphenyl)-1,2-oxazole
CID 116868801
6-(4-methoxy-3-propan-2-ylphenyl)pyridazine-3-carbaldehyde
CID 82299639
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-2-amine
CID 82300017
4-(4-methoxy-3-propan-2-ylphenyl)-6-methylpyrimidin-5-amine
CID 82483013
3-(4-methoxy-3-propan-2-ylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82118332
[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82484172
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-5-(1H-imidazol-5-yl)-4-phenylimidazole
CID 95225445
6-(4-methoxy-3-propan-2-ylphenyl)pyrimidine-4-carbaldehyde
CID 116857718

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole?
The IUPAC name of 5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole (CID 82078805) is 5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole.
What is the SMILES notation for 5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole?
The canonical SMILES for 5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole is COc1ccc(-c2cnc[nH]2)cc1C(C)C.
What is the InChIKey of 5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole?
The InChIKey is BXZCTHALOOFUJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-9(2)11-6-10(4-5-13(11)16-3)12-7-14-8-15-12/h4-9H,1-3H3,(H,14,15).
What are the key properties of 5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole?
5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole has a molecular weight of 216.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-3-propan-2-ylphenyl)-1H-imidazole is sourced from PubChem (CID 82078805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).