1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one

C18H17ClN2O — CID 58137546

IUPAC1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(Cl)c1)Cc1cccc(C2=NCCN2)c1
InChIInChI=1S/C18H17ClN2O/c19-16-6-2-4-14(10-16)12-17(22)11-13-3-1-5-15(9-13)18-20-7-8-21-18/h1-6,9-10H,7-8,11-12H2,(H,20,21)
InChIKeyGNYWGJXYUZKAAN-UHFFFAOYSA-N
MW312.80 g/mol
LogP3.04
Rot. Bonds5

About 1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one

1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one (PubChem CID 58137546) has the molecular formula C18H17ClN2O and a molecular weight of 312.80 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
PubChem CID58137546
Molecular FormulaC18H17ClN2O
Molecular Weight312.80 g/mol
Exact Mass312.10
IUPAC Name1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
SMILESO=C(Cc1cccc(Cl)c1)Cc1cccc(C2=NCCN2)c1
InChIInChI=1S/C18H17ClN2O/c19-16-6-2-4-14(10-16)12-17(22)11-13-3-1-5-15(9-13)18-20-7-8-21-18/h1-6,9-10H,7-8,11-12H2,(H,20,21)
InChIKeyGNYWGJXYUZKAAN-UHFFFAOYSA-N
XLogP3.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-[3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-2-oxopropyl]benzoate
CID 58137632
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one
CID 58137631
2-[3-(3-chlorophenyl)phenyl]acetate
CID 7022503
N-[[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]methyl]-4-methoxybenzamide
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CID 45120784
3-(3-chlorophenyl)-2-oxopropane-1-sulfonyl fluoride
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2-(3-chlorophenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 60615735
1-(3-chlorophenyl)-3-cyclopentylpropan-2-one
CID 62504262
1-(3-chlorophenyl)-3-(1,3-thiazol-5-yl)propan-2-one
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1-(3-chlorophenyl)propan-2-one
CID 2734097
CID 89119273
CID 89119273
2-(3-methoxyphenyl)-4,5-dihydro-1H-imidazole
CID 3771231

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one (CID 58137546) is 1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one is O=C(Cc1cccc(Cl)c1)Cc1cccc(C2=NCCN2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one?
The InChIKey is GNYWGJXYUZKAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O/c19-16-6-2-4-14(10-16)12-17(22)11-13-3-1-5-15(9-13)18-20-7-8-21-18/h1-6,9-10H,7-8,11-12H2,(H,20,21).
What are the key properties of 1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one?
1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one has a molecular weight of 312.80 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]propan-2-one is sourced from PubChem (CID 58137546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).