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

C14H17ClN2O — CID 117187630

IUPAC2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole
SMILESCc1cn(C(C)C)c(COc2ccccc2Cl)n1
InChIInChI=1S/C14H17ClN2O/c1-10(2)17-8-11(3)16-14(17)9-18-13-7-5-4-6-12(13)15/h4-8,10H,9H2,1-3H3
InChIKeyGZIMWDSJLPUXAC-UHFFFAOYSA-N
MW264.76 g/mol
LogP4.00
Rot. Bonds4

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

2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole (PubChem CID 117187630) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole
PubChem CID117187630
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole
SMILESCc1cn(C(C)C)c(COc2ccccc2Cl)n1
InChIInChI=1S/C14H17ClN2O/c1-10(2)17-8-11(3)16-14(17)9-18-13-7-5-4-6-12(13)15/h4-8,10H,9H2,1-3H3
InChIKeyGZIMWDSJLPUXAC-UHFFFAOYSA-N
XLogP4.00
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2-chlorophenoxy)methyl]-1-propan-2-ylimidazole
CID 66154438
2-[(2-chlorophenoxy)methyl]-1-methylimidazole-4-carboxylic acid
CID 117187272
4-[(2-chlorophenoxy)methyl]-1-methylimidazole
CID 117191456
2-[5-[(2-chlorophenoxy)methyl]-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667157
1-ethyl-2-[(2-fluorophenoxy)methyl]-4-methylimidazole
CID 117187618
4-[(2-chlorophenoxy)methyl]-1-methyltriazole
CID 103866170
[5-[(2-chlorophenoxy)methyl]-1-methyltriazol-4-yl]methanamine
CID 82207921
[5-[(2-chlorophenoxy)methyl]-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481637
4,6-dichloro-2-[(2-chlorophenoxy)methyl]pyrimidine
CID 82169647
3-[(2-chlorophenoxy)methyl]-1-methylindole
CID 117171277
3-[(2-chlorophenoxy)methyl]-5-methylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117255244
2-[2-[(2-chlorophenoxy)methyl]benzimidazol-1-yl]-N-propan-2-ylacetamide
CID 17031857

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole?
The IUPAC name of 2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole (CID 117187630) is 2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole.
What is the SMILES notation for 2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole?
The canonical SMILES for 2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole is Cc1cn(C(C)C)c(COc2ccccc2Cl)n1.
What is the InChIKey of 2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole?
The InChIKey is GZIMWDSJLPUXAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-10(2)17-8-11(3)16-14(17)9-18-13-7-5-4-6-12(13)15/h4-8,10H,9H2,1-3H3.
What are the key properties of 2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole?
2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole has a molecular weight of 264.76 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylimidazole is sourced from PubChem (CID 117187630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).