2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole

C13H15ClN2O — CID 117187741

IUPAC2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1COc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O/c1-10(2)16-8-7-15-13(16)9-17-12-5-3-11(14)4-6-12/h3-8,10H,9H2,1-2H3
InChIKeyVQFUUTXEVWHZGS-UHFFFAOYSA-N
MW250.73 g/mol
LogP3.70
Rot. Bonds4

About 2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole

2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole (PubChem CID 117187741) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole
PubChem CID117187741
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1COc1ccc(Cl)cc1
InChIInChI=1S/C13H15ClN2O/c1-10(2)16-8-7-15-13(16)9-17-12-5-3-11(14)4-6-12/h3-8,10H,9H2,1-2H3
InChIKeyVQFUUTXEVWHZGS-UHFFFAOYSA-N
XLogP3.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-butan-2-ylphenoxy)methyl]-1-(difluoromethyl)imidazole
CID 103606232
1-(difluoromethyl)-2-[(4-fluoro-3-methylphenoxy)methyl]imidazole
CID 81421392
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-amine
CID 115494550
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]butan-2-amine
CID 60879959
4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]benzaldehyde
CID 43112135
1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
CID 62072724
(1S)-1-[5-chloro-2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanol
CID 63364536
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]propan-2-one
CID 115495324
1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 60880506
(1S)-1-[4-[(1-methylimidazol-2-yl)methoxy]phenyl]ethanamine
CID 78932968
(4-chlorophenyl)-[1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-4-yl]methanol
CID 111111110
2-[(4-chlorophenoxy)methyl]-3-methylimidazol-4-amine
CID 117188413

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole?
The IUPAC name of 2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole (CID 117187741) is 2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole.
What is the SMILES notation for 2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole?
The canonical SMILES for 2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole is CC(C)n1ccnc1COc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole?
The InChIKey is VQFUUTXEVWHZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c1-10(2)16-8-7-15-13(16)9-17-12-5-3-11(14)4-6-12/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole?
2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole has a molecular weight of 250.73 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenoxy)methyl]-1-propan-2-ylimidazole is sourced from PubChem (CID 117187741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).