4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine

C23H17N3S — CID 18771492

IUPAC4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine
SMILESCc1csc(-c2nc(-c3ccncc3)c(-c3cccc4ccccc34)[nH]2)c1
InChIInChI=1S/C23H17N3S/c1-15-13-20(27-14-15)23-25-21(17-9-11-24-12-10-17)22(26-23)19-8-4-6-16-5-2-3-7-18(16)19/h2-14H,1H3,(H,25,26)
InChIKeyDSXHWYIOEYHSJD-UHFFFAOYSA-N
MW367.48 g/mol
LogP6.33
Rot. Bonds3

About 4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine

4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine (PubChem CID 18771492) has the molecular formula C23H17N3S and a molecular weight of 367.48 g/mol. Its IUPAC name is 4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine
PubChem CID18771492
Molecular FormulaC23H17N3S
Molecular Weight367.48 g/mol
Exact Mass367.11
IUPAC Name4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine
SMILESCc1csc(-c2nc(-c3ccncc3)c(-c3cccc4ccccc34)[nH]2)c1
InChIInChI=1S/C23H17N3S/c1-15-13-20(27-14-15)23-25-21(17-9-11-24-12-10-17)22(26-23)19-8-4-6-16-5-2-3-7-18(16)19/h2-14H,1H3,(H,25,26)
InChIKeyDSXHWYIOEYHSJD-UHFFFAOYSA-N
XLogP6.33
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.48
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine?
The IUPAC name of 4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine (CID 18771492) is 4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine.
What is the SMILES notation for 4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine?
The canonical SMILES for 4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine is Cc1csc(-c2nc(-c3ccncc3)c(-c3cccc4ccccc34)[nH]2)c1.
What is the InChIKey of 4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine?
The InChIKey is DSXHWYIOEYHSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3S/c1-15-13-20(27-14-15)23-25-21(17-9-11-24-12-10-17)22(26-23)19-8-4-6-16-5-2-3-7-18(16)19/h2-14H,1H3,(H,25,26).
What are the key properties of 4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine?
4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine has a molecular weight of 367.48 g/mol, XLogP of 6.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methylthiophen-2-yl)-5-naphthalen-1-yl-1H-imidazol-4-yl]pyridine is sourced from PubChem (CID 18771492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).