1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid

C19H18Cl2N2O5S — CID 14062132

IUPAC1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid
SMILESC=C(Cn1ccnc1)c1ccccc1OCc1ccc(Cl)cc1Cl.O=S(=O)(O)O
InChIInChI=1S/C19H16Cl2N2O.H2O4S/c1-14(11-23-9-8-22-13-23)17-4-2-3-5-19(17)24-12-15-6-7-16(20)10-18(15)21;1-5(2,3)4/h2-10,13H,1,11-12H2;(H2,1,2,3,4)
InChIKeyNMPRPNBLONFONN-UHFFFAOYSA-N
MW457.34 g/mol
LogP4.83
Rot. Bonds6

About 1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid

1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid (PubChem CID 14062132) has the molecular formula C19H18Cl2N2O5S and a molecular weight of 457.34 g/mol. Its IUPAC name is 1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid.

Molecular Properties

Compound Name1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid
PubChem CID14062132
Molecular FormulaC19H18Cl2N2O5S
Molecular Weight457.34 g/mol
Exact Mass456.03
IUPAC Name1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid
SMILESC=C(Cn1ccnc1)c1ccccc1OCc1ccc(Cl)cc1Cl.O=S(=O)(O)O
InChIInChI=1S/C19H16Cl2N2O.H2O4S/c1-14(11-23-9-8-22-13-23)17-4-2-3-5-19(17)24-12-15-6-7-16(20)10-18(15)21;1-5(2,3)4/h2-10,13H,1,11-12H2;(H2,1,2,3,4)
InChIKeyNMPRPNBLONFONN-UHFFFAOYSA-N
XLogP4.83
TPSA101.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.34
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;4-methylbenzenesulfonic acid
CID 14062131
bis[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-3-imidazol-1-ylprop-1-enyl] oxalate
CID 57052475
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]imidazole
CID 3007459
(Z)-1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-1-imidazol-1-yl-N-methoxymethanimine
CID 22904486
1-[[4-bromo-2-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]imidazole
CID 21481677
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 66529631
1-[(Z)-1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 6479456
1-[1-[5-chloro-2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 3007496
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole
CID 21481629
acetic acid;(Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 129184950
1-[2-(4-chlorophenyl)prop-2-enyl]imidazole
CID 71322821
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]butyl]imidazole;nitric acid
CID 71397350

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid?
The IUPAC name of 1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid (CID 14062132) is 1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid.
What is the SMILES notation for 1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid?
The canonical SMILES for 1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid is C=C(Cn1ccnc1)c1ccccc1OCc1ccc(Cl)cc1Cl.O=S(=O)(O)O.
What is the InChIKey of 1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid?
The InChIKey is NMPRPNBLONFONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N2O.H2O4S/c1-14(11-23-9-8-22-13-23)17-4-2-3-5-19(17)24-12-15-6-7-16(20)10-18(15)21;1-5(2,3)4/h2-10,13H,1,11-12H2;(H2,1,2,3,4).
What are the key properties of 1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid?
1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid has a molecular weight of 457.34 g/mol, XLogP of 4.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid is sourced from PubChem (CID 14062132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).