5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole

C20H20N4S — CID 50985070

IUPAC5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole
SMILESCc1ccsc1CCn1cnc(-c2ccccc2)c1-c1nccn1C
InChIInChI=1S/C20H20N4S/c1-15-9-13-25-17(15)8-11-24-14-22-18(16-6-4-3-5-7-16)19(24)20-21-10-12-23(20)2/h3-7,9-10,12-14H,8,11H2,1-2H3
InChIKeyDNMUDCIXWMOXKD-UHFFFAOYSA-N
MW348.48 g/mol
LogP4.56
Rot. Bonds5

About 5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole

5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole (PubChem CID 50985070) has the molecular formula C20H20N4S and a molecular weight of 348.48 g/mol. Its IUPAC name is 5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole.

Molecular Properties

Compound Name5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole
PubChem CID50985070
Molecular FormulaC20H20N4S
Molecular Weight348.48 g/mol
Exact Mass348.14
IUPAC Name5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole
SMILESCc1ccsc1CCn1cnc(-c2ccccc2)c1-c1nccn1C
InChIInChI=1S/C20H20N4S/c1-15-9-13-25-17(15)8-11-24-14-22-18(16-6-4-3-5-7-16)19(24)20-21-10-12-23(20)2/h3-7,9-10,12-14H,8,11H2,1-2H3
InChIKeyDNMUDCIXWMOXKD-UHFFFAOYSA-N
XLogP4.56
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole?
The IUPAC name of 5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole (CID 50985070) is 5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole.
What is the SMILES notation for 5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole?
The canonical SMILES for 5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole is Cc1ccsc1CCn1cnc(-c2ccccc2)c1-c1nccn1C.
What is the InChIKey of 5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole?
The InChIKey is DNMUDCIXWMOXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4S/c1-15-9-13-25-17(15)8-11-24-14-22-18(16-6-4-3-5-7-16)19(24)20-21-10-12-23(20)2/h3-7,9-10,12-14H,8,11H2,1-2H3.
What are the key properties of 5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole?
5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole has a molecular weight of 348.48 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylimidazol-2-yl)-1-[2-(3-methylthiophen-2-yl)ethyl]-4-phenylimidazole is sourced from PubChem (CID 50985070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).