1-[2,3-bis(2-chlorophenyl)propyl]imidazole

C18H16Cl2N2 — CID 3006887

IUPAC1-[2,3-bis(2-chlorophenyl)propyl]imidazole
SMILESClc1ccccc1CC(Cn1ccnc1)c1ccccc1Cl
InChIInChI=1S/C18H16Cl2N2/c19-17-7-3-1-5-14(17)11-15(12-22-10-9-21-13-22)16-6-2-4-8-18(16)20/h1-10,13,15H,11-12H2
InChIKeyROYMKTHABIZOKQ-UHFFFAOYSA-N
MW331.25 g/mol
LogP5.22
Rot. Bonds5

About 1-[2,3-bis(2-chlorophenyl)propyl]imidazole

1-[2,3-bis(2-chlorophenyl)propyl]imidazole (PubChem CID 3006887) has the molecular formula C18H16Cl2N2 and a molecular weight of 331.25 g/mol. Its IUPAC name is 1-[2,3-bis(2-chlorophenyl)propyl]imidazole.

Molecular Properties

Compound Name1-[2,3-bis(2-chlorophenyl)propyl]imidazole
PubChem CID3006887
Molecular FormulaC18H16Cl2N2
Molecular Weight331.25 g/mol
Exact Mass330.07
IUPAC Name1-[2,3-bis(2-chlorophenyl)propyl]imidazole
SMILESClc1ccccc1CC(Cn1ccnc1)c1ccccc1Cl
InChIInChI=1S/C18H16Cl2N2/c19-17-7-3-1-5-14(17)11-15(12-22-10-9-21-13-22)16-6-2-4-8-18(16)20/h1-10,13,15H,11-12H2
InChIKeyROYMKTHABIZOKQ-UHFFFAOYSA-N
XLogP5.22
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.25
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3-bis(2-chlorophenyl)propyl]imidazole?
The IUPAC name of 1-[2,3-bis(2-chlorophenyl)propyl]imidazole (CID 3006887) is 1-[2,3-bis(2-chlorophenyl)propyl]imidazole.
What is the SMILES notation for 1-[2,3-bis(2-chlorophenyl)propyl]imidazole?
The canonical SMILES for 1-[2,3-bis(2-chlorophenyl)propyl]imidazole is Clc1ccccc1CC(Cn1ccnc1)c1ccccc1Cl.
What is the InChIKey of 1-[2,3-bis(2-chlorophenyl)propyl]imidazole?
The InChIKey is ROYMKTHABIZOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2/c19-17-7-3-1-5-14(17)11-15(12-22-10-9-21-13-22)16-6-2-4-8-18(16)20/h1-10,13,15H,11-12H2.
What are the key properties of 1-[2,3-bis(2-chlorophenyl)propyl]imidazole?
1-[2,3-bis(2-chlorophenyl)propyl]imidazole has a molecular weight of 331.25 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3-bis(2-chlorophenyl)propyl]imidazole is sourced from PubChem (CID 3006887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).