1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one

C18H15ClN2O2 — CID 70587638

IUPAC1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one
SMILESO=C(Cc1ccc(Oc2ccccc2Cl)cc1)Cn1ccnc1
InChIInChI=1S/C18H15ClN2O2/c19-17-3-1-2-4-18(17)23-16-7-5-14(6-8-16)11-15(22)12-21-10-9-20-13-21/h1-10,13H,11-12H2
InChIKeyNIZCWEZIPPRAOE-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.14
Rot. Bonds6

About 1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one

1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one (PubChem CID 70587638) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one.

Molecular Properties

Compound Name1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one
PubChem CID70587638
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one
SMILESO=C(Cc1ccc(Oc2ccccc2Cl)cc1)Cn1ccnc1
InChIInChI=1S/C18H15ClN2O2/c19-17-3-1-2-4-18(17)23-16-7-5-14(6-8-16)11-15(22)12-21-10-9-20-13-21/h1-10,13H,11-12H2
InChIKeyNIZCWEZIPPRAOE-UHFFFAOYSA-N
XLogP4.14
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-tert-butylphenyl)-3-imidazol-1-ylpropan-2-one
CID 20518906
1-imidazol-1-yl-4-phenylbutan-2-one
CID 12816466
2-[[4-(2-chlorophenoxy)phenyl]methylsulfanyl]acetamide
CID 11558602
[4-(2-chlorophenoxy)phenyl]methanamine
CID 5152206
N-[4-(2-chlorophenoxy)phenyl]-2-pyridin-4-ylsulfanylacetamide
CID 25386787
2-imidazol-1-yl-N-(4-quinolin-4-yloxyphenyl)acetamide
CID 71984235
3-[4-(2-chlorophenoxy)phenyl]-2-phenylpropanoic acid
CID 22684959
2-[4-(2-chlorophenoxy)phenyl]ethanamine
CID 20993672
1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol
CID 20525170
2-[4-(imidazol-1-ylmethyl)phenoxy]acetic acid
CID 12870444
3-[4-(2-chlorophenoxy)phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylimino]propanoic acid
CID 90717117
1-[3-(4-fluorophenyl)-2-oxopropyl]pyridin-4-one
CID 55127329

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one?
The IUPAC name of 1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one (CID 70587638) is 1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one.
What is the SMILES notation for 1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one?
The canonical SMILES for 1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one is O=C(Cc1ccc(Oc2ccccc2Cl)cc1)Cn1ccnc1.
What is the InChIKey of 1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one?
The InChIKey is NIZCWEZIPPRAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-17-3-1-2-4-18(17)23-16-7-5-14(6-8-16)11-15(22)12-21-10-9-20-13-21/h1-10,13H,11-12H2.
What are the key properties of 1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one?
1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one has a molecular weight of 326.78 g/mol, XLogP of 4.14, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenoxy)phenyl]-3-imidazol-1-ylpropan-2-one is sourced from PubChem (CID 70587638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).