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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Related Compounds

4-(3-chlorophenyl)-5-phenyl-2-[3-(2-phenylethynyl)phenyl]-1H-imidazole
CID 42536097
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728
3-[2-(3-chlorophenyl)-4-phenyl-1H-imidazol-5-yl]-6-[2-(3-chlorophenyl)-5-phenyl-1H-imidazol-4-yl]fluoren-9-one
CID 135498143
2-[2-(2,5-dichlorophenyl)phenyl]-4,5-diphenyl-1H-imidazole
CID 58038056
2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690364
5-(4-chlorophenyl)-2-naphthalen-2-yl-4-phenyl-1H-imidazole
CID 138455379
2-(4-chloro-3-nitrophenyl)-4-(3-chlorophenyl)-5-phenyl-1H-imidazole
CID 3796368
2-[5-(2-methoxy-5-nitrophenyl)furan-2-yl]-4,5-diphenyl-1H-imidazole
CID 2859398
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
2-[4-(3,5-dichlorophenyl)-5-phenyl-1H-imidazol-2-yl]pyridine
CID 150454415
4-[4-(3-chlorophenyl)-2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine
CID 54172042

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).