4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine

C19H14ClN3S — CID 90320724

IUPAC4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine
SMILESClc1ccc(Cc2cc(-c3ccncc3)sc2-c2ncc[nH]2)cc1
InChIInChI=1S/C19H14ClN3S/c20-16-3-1-13(2-4-16)11-15-12-17(14-5-7-21-8-6-14)24-18(15)19-22-9-10-23-19/h1-10,12H,11H2,(H,22,23)
InChIKeyVDFOASQIASNLDG-UHFFFAOYSA-N
MW351.86 g/mol
LogP5.44
Rot. Bonds4

About 4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine

4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine (PubChem CID 90320724) has the molecular formula C19H14ClN3S and a molecular weight of 351.86 g/mol. Its IUPAC name is 4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine.

Molecular Properties

Compound Name4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine
PubChem CID90320724
Molecular FormulaC19H14ClN3S
Molecular Weight351.86 g/mol
Exact Mass351.06
IUPAC Name4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine
SMILESClc1ccc(Cc2cc(-c3ccncc3)sc2-c2ncc[nH]2)cc1
InChIInChI=1S/C19H14ClN3S/c20-16-3-1-13(2-4-16)11-15-12-17(14-5-7-21-8-6-14)24-18(15)19-22-9-10-23-19/h1-10,12H,11H2,(H,22,23)
InChIKeyVDFOASQIASNLDG-UHFFFAOYSA-N
XLogP5.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.86
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine?
The IUPAC name of 4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine (CID 90320724) is 4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine.
What is the SMILES notation for 4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine?
The canonical SMILES for 4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine is Clc1ccc(Cc2cc(-c3ccncc3)sc2-c2ncc[nH]2)cc1.
What is the InChIKey of 4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine?
The InChIKey is VDFOASQIASNLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClN3S/c20-16-3-1-13(2-4-16)11-15-12-17(14-5-7-21-8-6-14)24-18(15)19-22-9-10-23-19/h1-10,12H,11H2,(H,22,23).
What are the key properties of 4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine?
4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine has a molecular weight of 351.86 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(4-chlorophenyl)methyl]-5-(1H-imidazol-2-yl)thiophen-2-yl]pyridine is sourced from PubChem (CID 90320724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).