2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole

C25H17ClN2O — CID 3114182

IUPAC2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
SMILESClc1cccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)o2)c1
InChIInChI=1S/C25H17ClN2O/c26-20-13-7-12-19(16-20)21-14-15-22(29-21)25-27-23(17-8-3-1-4-9-17)24(28-25)18-10-5-2-6-11-18/h1-16H,(H,27,28)
InChIKeyKSLMNBLVLMWPPY-UHFFFAOYSA-N
MW396.88 g/mol
LogP7.32
Rot. Bonds4

About 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole

2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole (PubChem CID 3114182) has the molecular formula C25H17ClN2O and a molecular weight of 396.88 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
PubChem CID3114182
Molecular FormulaC25H17ClN2O
Molecular Weight396.88 g/mol
Exact Mass396.10
IUPAC Name2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
SMILESClc1cccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)o2)c1
InChIInChI=1S/C25H17ClN2O/c26-20-13-7-12-19(16-20)21-14-15-22(29-21)25-27-23(17-8-3-1-4-9-17)24(28-25)18-10-5-2-6-11-18/h1-16H,(H,27,28)
InChIKeyKSLMNBLVLMWPPY-UHFFFAOYSA-N
XLogP7.32
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.88
LogP ≤ 57.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole (CID 3114182) is 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole is Clc1cccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)o2)c1.
What is the InChIKey of 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole?
The InChIKey is KSLMNBLVLMWPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17ClN2O/c26-20-13-7-12-19(16-20)21-14-15-22(29-21)25-27-23(17-8-3-1-4-9-17)24(28-25)18-10-5-2-6-11-18/h1-16H,(H,27,28).
What are the key properties of 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole?
2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole has a molecular weight of 396.88 g/mol, XLogP of 7.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 3114182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).