3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one

C23H26Cl2N2O2 — CID 158476785

IUPAC3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one
SMILESCC(C)Oc1ccc(C(=O)CCc2ccc(Cl)c(Cl)c2)cc1CCC1=NCCN1
InChIInChI=1S/C23H26Cl2N2O2/c1-15(2)29-22-9-5-17(14-18(22)6-10-23-26-11-12-27-23)21(28)8-4-16-3-7-19(24)20(25)13-16/h3,5,7,9,13-15H,4,6,8,10-12H2,1-2H3,(H,26,27)
InChIKeyHHAPUBDCPUFXEG-UHFFFAOYSA-N
MW433.38 g/mol
LogP5.53
Rot. Bonds9

About 3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one

3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one (PubChem CID 158476785) has the molecular formula C23H26Cl2N2O2 and a molecular weight of 433.38 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one
PubChem CID158476785
Molecular FormulaC23H26Cl2N2O2
Molecular Weight433.38 g/mol
Exact Mass432.14
IUPAC Name3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one
SMILESCC(C)Oc1ccc(C(=O)CCc2ccc(Cl)c(Cl)c2)cc1CCC1=NCCN1
InChIInChI=1S/C23H26Cl2N2O2/c1-15(2)29-22-9-5-17(14-18(22)6-10-23-26-11-12-27-23)21(28)8-4-16-3-7-19(24)20(25)13-16/h3,5,7,9,13-15H,4,6,8,10-12H2,1-2H3,(H,26,27)
InChIKeyHHAPUBDCPUFXEG-UHFFFAOYSA-N
XLogP5.53
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.38
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-3-methylphenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-5-(4-methyl-3-pyridinyl)phenyl]propan-1-one
CID 158596323
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-N-[1-(3,5-dimethoxyphenyl)ethyl]-4-propan-2-yloxybenzamide
CID 146370932
3-(4-chlorophenyl)-1-(3,4-dichlorophenyl)propan-1-one
CID 24726104
1-(3-chloro-4-propan-2-yloxyphenyl)propan-2-one
CID 82494710
1-(3,4-dichlorophenyl)-3-phenylpropan-1-one
CID 18351990
3-(3,4-dichlorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 100595712
1-(5-chloro-2-methoxyphenyl)-2-(4,5-dihydro-1H-imidazol-2-yl)ethanone
CID 116826133
1-[6-[3-(3,4-dichlorophenyl)-3-oxopropyl]-3,4-dihydro-2H-quinolin-1-yl]-3-methylbutan-1-one
CID 159263251
N-[(3-chloro-4-propan-2-yloxyphenyl)methyl]pyridine-4-carboxamide
CID 110782158
3-(azepan-1-yl)-1-(3-chloro-4-propan-2-yloxyphenyl)propan-1-one
CID 82052934
3-[3,4-di(propan-2-yloxy)phenyl]propanoic acid
CID 82050366
1,5-bis(3,4-dichlorophenyl)pentan-3-one
CID 70057291

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one (CID 158476785) is 3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one is CC(C)Oc1ccc(C(=O)CCc2ccc(Cl)c(Cl)c2)cc1CCC1=NCCN1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one?
The InChIKey is HHAPUBDCPUFXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N2O2/c1-15(2)29-22-9-5-17(14-18(22)6-10-23-26-11-12-27-23)21(28)8-4-16-3-7-19(24)20(25)13-16/h3,5,7,9,13-15H,4,6,8,10-12H2,1-2H3,(H,26,27).
What are the key properties of 3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one?
3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one has a molecular weight of 433.38 g/mol, XLogP of 5.53, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-[3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]-4-propan-2-yloxyphenyl]propan-1-one is sourced from PubChem (CID 158476785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).