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

C19H17ClN2O2 — CID 70525728

IUPAC1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one
SMILESCC(Cn1ccnc1)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H17ClN2O2/c1-14(12-22-10-9-21-13-22)19(23)15-5-7-17(8-6-15)24-18-4-2-3-16(20)11-18/h2-11,13-14H,12H2,1H3
InChIKeyKRUIAVWKDSLHBP-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.85
Rot. Bonds6

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

1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one (PubChem CID 70525728) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is 1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one
PubChem CID70525728
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Name1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one
SMILESCC(Cn1ccnc1)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1
InChIInChI=1S/C19H17ClN2O2/c1-14(12-22-10-9-21-13-22)19(23)15-5-7-17(8-6-15)24-18-4-2-3-16(20)11-18/h2-11,13-14H,12H2,1H3
InChIKeyKRUIAVWKDSLHBP-UHFFFAOYSA-N
XLogP4.85
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-[1-(3-chlorophenyl)-3-imidazol-1-yl-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 164614677
1-[4-(3-chlorophenoxy)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 170562609
[4-(3-chlorophenoxy)phenyl]-(4-hydroxyphenyl)methanone
CID 19806495
[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] 3,4-dichlorobenzoate
CID 21422347
1-[4-(4-fluorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-ol
CID 70526340
1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol
CID 20525170
(2S)-2-(3-chlorophenoxy)-N-[(2-imidazol-1-ylphenyl)methyl]propanamide
CID 99957835
(2S)-2-(3-chlorophenoxy)-N-[(4-imidazol-1-ylphenyl)methyl]propanamide
CID 28636872
3-chloro-N'-(4-pyridin-4-yloxybenzoyl)benzohydrazide
CID 11349148
1-imidazol-1-yl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 61212248
[2-(1-imidazol-1-ylpropan-2-yl)phenyl] benzoate
CID 101092961
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one?
The IUPAC name of 1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one (CID 70525728) is 1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one.
What is the SMILES notation for 1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one?
The canonical SMILES for 1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one is CC(Cn1ccnc1)C(=O)c1ccc(Oc2cccc(Cl)c2)cc1.
What is the InChIKey of 1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one?
The InChIKey is KRUIAVWKDSLHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-14(12-22-10-9-21-13-22)19(23)15-5-7-17(8-6-15)24-18-4-2-3-16(20)11-18/h2-11,13-14H,12H2,1H3.
What are the key properties of 1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one?
1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one has a molecular weight of 340.81 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenoxy)phenyl]-3-imidazol-1-yl-2-methylpropan-1-one is sourced from PubChem (CID 70525728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).