5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole

C14H18N2O — CID 117188585

IUPAC5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole
SMILESCc1cnc(COc2ccccc2)n1C(C)C
InChIInChI=1S/C14H18N2O/c1-11(2)16-12(3)9-15-14(16)10-17-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3
InChIKeyQMTADBUOZTWOKZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.35
Rot. Bonds4

About 5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole

5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole (PubChem CID 117188585) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole.

Molecular Properties

Compound Name5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole
PubChem CID117188585
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole
SMILESCc1cnc(COc2ccccc2)n1C(C)C
InChIInChI=1S/C14H18N2O/c1-11(2)16-12(3)9-15-14(16)10-17-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3
InChIKeyQMTADBUOZTWOKZ-UHFFFAOYSA-N
XLogP3.35
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-(phenoxymethyl)-1-propan-2-ylimidazole
CID 117188587
5-bromo-2-[(4-methylphenoxy)methyl]-1-propan-2-ylimidazole
CID 117188687
5-bromo-1-ethyl-2-(phenoxymethyl)imidazole
CID 117188584
5-chloro-2-(phenoxymethyl)-1-propan-2-ylbenzimidazole
CID 46310630
4-[(1,5-dimethylimidazol-2-yl)methoxy]phenol
CID 117188417
(1R)-1-[4-methyl-2-(phenoxymethyl)pyrimidin-5-yl]ethanamine
CID 103431680
3,5-bis(phenoxymethyl)-1,2,4-triazol-4-amine
CID 626571
2-[(3-bromophenoxy)methyl]-1,5-dimethylimidazole
CID 117188386
N,4-diethyl-5-(phenoxymethyl)-1,2,4-triazol-3-amine
CID 112596730
2-[(3-fluorophenoxy)methyl]-1,5-dimethylimidazole
CID 117188384
2-[5,6-dimethyl-2-(phenoxymethyl)benzimidazol-1-yl]propanoic acid
CID 82145263
1-ethyl-2-[(3-methoxyphenoxy)methyl]-5-methylimidazole
CID 117188658

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole?
The IUPAC name of 5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole (CID 117188585) is 5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole.
What is the SMILES notation for 5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole?
The canonical SMILES for 5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole is Cc1cnc(COc2ccccc2)n1C(C)C.
What is the InChIKey of 5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole?
The InChIKey is QMTADBUOZTWOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-11(2)16-12(3)9-15-14(16)10-17-13-7-5-4-6-8-13/h4-9,11H,10H2,1-3H3.
What are the key properties of 5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole?
5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole has a molecular weight of 230.31 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(phenoxymethyl)-1-propan-2-ylimidazole is sourced from PubChem (CID 117188585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).