3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal

C12H10Cl2N2O — CID 87515481

IUPAC3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal
SMILESO=CCC(c1ccc(Cl)c(Cl)c1)n1ccnc1
InChIInChI=1S/C12H10Cl2N2O/c13-10-2-1-9(7-11(10)14)12(3-6-17)16-5-4-15-8-16/h1-2,4-8,12H,3H2
InChIKeyQGFWBESLDRIPJI-UHFFFAOYSA-N
MW269.13 g/mol
LogP3.37
Rot. Bonds4

About 3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal

3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal (PubChem CID 87515481) has the molecular formula C12H10Cl2N2O and a molecular weight of 269.13 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal
PubChem CID87515481
Molecular FormulaC12H10Cl2N2O
Molecular Weight269.13 g/mol
Exact Mass268.02
IUPAC Name3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal
SMILESO=CCC(c1ccc(Cl)c(Cl)c1)n1ccnc1
InChIInChI=1S/C12H10Cl2N2O/c13-10-2-1-9(7-11(10)14)12(3-6-17)16-5-4-15-8-16/h1-2,4-8,12H,3H2
InChIKeyQGFWBESLDRIPJI-UHFFFAOYSA-N
XLogP3.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.13
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(3,4-dichlorophenyl)-4-imidazol-1-ylbutanal
CID 54433379
1-[(4-chlorophenyl)-(2,4-dichlorophenyl)methyl]imidazole
CID 53262807
2-(4-chloro-3-cyclohexylphenyl)-2-imidazol-1-ylacetaldehyde
CID 88780822
1-[(1R)-1-(2,4-dichlorophenyl)-2-[(2R)-2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
CID 166732164
1-[1-(2,4-dichlorophenyl)-2-[2-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethyl]imidazole
CID 139707946
6-(1-imidazol-1-ylbutyl)-2,3-dihydroinden-1-one
CID 14850679
1-imidazol-1-yl-3-oxopropane-1-sulfonic acid
CID 174330526
methyl 2-(3,4-dichlorophenyl)-4-oxobutanoate
CID 59856539
1-[1-(4-methylphenyl)butyl]imidazole
CID 90765635
1-[1-bromo-2-(4-bromophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 70637186
(3R)-3-(3,4-dichlorophenyl)-3-formamidopropanoic acid
CID 78961882
3-(3,4-dichlorophenyl)-N-methoxy-N-methyl-5-oxopentanamide
CID 57063992

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal?
The IUPAC name of 3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal (CID 87515481) is 3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal?
The canonical SMILES for 3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal is O=CCC(c1ccc(Cl)c(Cl)c1)n1ccnc1.
What is the InChIKey of 3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal?
The InChIKey is QGFWBESLDRIPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O/c13-10-2-1-9(7-11(10)14)12(3-6-17)16-5-4-15-8-16/h1-2,4-8,12H,3H2.
What are the key properties of 3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal?
3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal has a molecular weight of 269.13 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-3-imidazol-1-ylpropanal is sourced from PubChem (CID 87515481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).