1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole

C19H18Cl2N2 — CID 3006883

IUPAC1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole
SMILESCc1ccccc1C(Cc1ccc(Cl)cc1Cl)Cn1ccnc1
InChIInChI=1S/C19H18Cl2N2/c1-14-4-2-3-5-18(14)16(12-23-9-8-22-13-23)10-15-6-7-17(20)11-19(15)21/h2-9,11,13,16H,10,12H2,1H3
InChIKeyLTDDIFVIJSDGRA-UHFFFAOYSA-N
MW345.27 g/mol
LogP5.52
Rot. Bonds5

About 1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole

1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole (PubChem CID 3006883) has the molecular formula C19H18Cl2N2 and a molecular weight of 345.27 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole
PubChem CID3006883
Molecular FormulaC19H18Cl2N2
Molecular Weight345.27 g/mol
Exact Mass344.08
IUPAC Name1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole
SMILESCc1ccccc1C(Cc1ccc(Cl)cc1Cl)Cn1ccnc1
InChIInChI=1S/C19H18Cl2N2/c1-14-4-2-3-5-18(14)16(12-23-9-8-22-13-23)10-15-6-7-17(20)11-19(15)21/h2-9,11,13,16H,10,12H2,1H3
InChIKeyLTDDIFVIJSDGRA-UHFFFAOYSA-N
XLogP5.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.27
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole?
The IUPAC name of 1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole (CID 3006883) is 1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole.
What is the SMILES notation for 1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole?
The canonical SMILES for 1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole is Cc1ccccc1C(Cc1ccc(Cl)cc1Cl)Cn1ccnc1.
What is the InChIKey of 1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole?
The InChIKey is LTDDIFVIJSDGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2/c1-14-4-2-3-5-18(14)16(12-23-9-8-22-13-23)10-15-6-7-17(20)11-19(15)21/h2-9,11,13,16H,10,12H2,1H3.
What are the key properties of 1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole?
1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole has a molecular weight of 345.27 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenyl)-2-(2-methylphenyl)propyl]imidazole is sourced from PubChem (CID 3006883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).