1-[(5-phenylthiophen-2-yl)methyl]imidazole

C14H12N2S — CID 53319147

IUPAC1-[(5-phenylthiophen-2-yl)methyl]imidazole
SMILESc1ccc(-c2ccc(Cn3ccnc3)s2)cc1
InChIInChI=1S/C14H12N2S/c1-2-4-12(5-3-1)14-7-6-13(17-14)10-16-9-8-15-11-16/h1-9,11H,10H2
InChIKeyPFSLZFCTNKWJFW-UHFFFAOYSA-N
MW240.33 g/mol
LogP3.66
Rot. Bonds3

About 1-[(5-phenylthiophen-2-yl)methyl]imidazole

1-[(5-phenylthiophen-2-yl)methyl]imidazole (PubChem CID 53319147) has the molecular formula C14H12N2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 1-[(5-phenylthiophen-2-yl)methyl]imidazole.

Molecular Properties

Compound Name1-[(5-phenylthiophen-2-yl)methyl]imidazole
PubChem CID53319147
Molecular FormulaC14H12N2S
Molecular Weight240.33 g/mol
Exact Mass240.07
IUPAC Name1-[(5-phenylthiophen-2-yl)methyl]imidazole
SMILESc1ccc(-c2ccc(Cn3ccnc3)s2)cc1
InChIInChI=1S/C14H12N2S/c1-2-4-12(5-3-1)14-7-6-13(17-14)10-16-9-8-15-11-16/h1-9,11H,10H2
InChIKeyPFSLZFCTNKWJFW-UHFFFAOYSA-N
XLogP3.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-phenylthiophen-2-yl)methyl]imidazole?
The IUPAC name of 1-[(5-phenylthiophen-2-yl)methyl]imidazole (CID 53319147) is 1-[(5-phenylthiophen-2-yl)methyl]imidazole.
What is the SMILES notation for 1-[(5-phenylthiophen-2-yl)methyl]imidazole?
The canonical SMILES for 1-[(5-phenylthiophen-2-yl)methyl]imidazole is c1ccc(-c2ccc(Cn3ccnc3)s2)cc1.
What is the InChIKey of 1-[(5-phenylthiophen-2-yl)methyl]imidazole?
The InChIKey is PFSLZFCTNKWJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2S/c1-2-4-12(5-3-1)14-7-6-13(17-14)10-16-9-8-15-11-16/h1-9,11H,10H2.
What are the key properties of 1-[(5-phenylthiophen-2-yl)methyl]imidazole?
1-[(5-phenylthiophen-2-yl)methyl]imidazole has a molecular weight of 240.33 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-phenylthiophen-2-yl)methyl]imidazole is sourced from PubChem (CID 53319147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).