4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine

C20H14ClN3 — CID 10568528

IUPAC4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
SMILESClc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C20H14ClN3/c21-17-8-4-7-16(13-17)19-18(14-9-11-22-12-10-14)23-20(24-19)15-5-2-1-3-6-15/h1-13H,(H,23,24)
InChIKeySPVCHCDBUMRZBA-UHFFFAOYSA-N
MW331.81 g/mol
LogP5.46
Rot. Bonds3

About 4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine

4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine (PubChem CID 10568528) has the molecular formula C20H14ClN3 and a molecular weight of 331.81 g/mol. Its IUPAC name is 4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine.

Molecular Properties

Compound Name4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
PubChem CID10568528
Molecular FormulaC20H14ClN3
Molecular Weight331.81 g/mol
Exact Mass331.09
IUPAC Name4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine
SMILESClc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)c1
InChIInChI=1S/C20H14ClN3/c21-17-8-4-7-16(13-17)19-18(14-9-11-22-12-10-14)23-20(24-19)15-5-2-1-3-6-15/h1-13H,(H,23,24)
InChIKeySPVCHCDBUMRZBA-UHFFFAOYSA-N
XLogP5.46
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.81
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine?
The IUPAC name of 4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine (CID 10568528) is 4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine.
What is the SMILES notation for 4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine?
The canonical SMILES for 4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine is Clc1cccc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)c1.
What is the InChIKey of 4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine?
The InChIKey is SPVCHCDBUMRZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3/c21-17-8-4-7-16(13-17)19-18(14-9-11-22-12-10-14)23-20(24-19)15-5-2-1-3-6-15/h1-13H,(H,23,24).
What are the key properties of 4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine?
4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine has a molecular weight of 331.81 g/mol, XLogP of 5.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chlorophenyl)-2-phenyl-1H-imidazol-5-yl]pyridine is sourced from PubChem (CID 10568528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).