1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole

C15H20N2O — CID 803122

IUPAC1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole
SMILESCc1cc(OCCn2ccnc2)ccc1C(C)C
InChIInChI=1S/C15H20N2O/c1-12(2)15-5-4-14(10-13(15)3)18-9-8-17-7-6-16-11-17/h4-7,10-12H,8-9H2,1-3H3
InChIKeyNHORTXAUJOVLHI-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.39
Rot. Bonds5

About 1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole

1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole (PubChem CID 803122) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole
PubChem CID803122
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole
SMILESCc1cc(OCCn2ccnc2)ccc1C(C)C
InChIInChI=1S/C15H20N2O/c1-12(2)15-5-4-14(10-13(15)3)18-9-8-17-7-6-16-11-17/h4-7,10-12H,8-9H2,1-3H3
InChIKeyNHORTXAUJOVLHI-UHFFFAOYSA-N
XLogP3.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Skf 96365
CID 104955
1-(6-Methoxy-3,4-dihydronaphthalen-2-yl)-1H-imidazole
CID 3021561
1H-Imidazole, 1-(2-phenoxyethyl)-
CID 13569172
SKF-96365 free base
CID 104956
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
1-[2-(4-methoxyphenoxy)ethyl]-1H-imidazole
CID 868397
1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313
Imidazole, 1-[2-(2,4,6-trimethylphenoxy)ethyl]-
CID 565898
1-Imidazol-1-yl-3-(4-octylphenoxy)propan-2-one
CID 46230393
1-[3-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348
1-[2-(2,3-dimethylphenoxy)ethyl]-1H-imidazole
CID 868561

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole (CID 803122) is 1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole is Cc1cc(OCCn2ccnc2)ccc1C(C)C.
What is the InChIKey of 1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole?
The InChIKey is NHORTXAUJOVLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(2)15-5-4-14(10-13(15)3)18-9-8-17-7-6-16-11-17/h4-7,10-12H,8-9H2,1-3H3.
What are the key properties of 1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole?
1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole has a molecular weight of 244.34 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methyl-4-propan-2-ylphenoxy)ethyl]imidazole is sourced from PubChem (CID 803122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).