1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole

C18H20N2OS — CID 18755575

IUPAC1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole
SMILESCCOc1cccc(CCCn2cnc(-c3ccsc3)c2)c1
InChIInChI=1S/C18H20N2OS/c1-2-21-17-7-3-5-15(11-17)6-4-9-20-12-18(19-14-20)16-8-10-22-13-16/h3,5,7-8,10-14H,2,4,6,9H2,1H3
InChIKeyKSHIYPDEZNRKRF-UHFFFAOYSA-N
MW312.44 g/mol
LogP4.64
Rot. Bonds7

About 1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole

1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole (PubChem CID 18755575) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is 1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole.

Molecular Properties

Compound Name1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole
PubChem CID18755575
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole
SMILESCCOc1cccc(CCCn2cnc(-c3ccsc3)c2)c1
InChIInChI=1S/C18H20N2OS/c1-2-21-17-7-3-5-15(11-17)6-4-9-20-12-18(19-14-20)16-8-10-22-13-16/h3,5,7-8,10-14H,2,4,6,9H2,1H3
InChIKeyKSHIYPDEZNRKRF-UHFFFAOYSA-N
XLogP4.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole?
The IUPAC name of 1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole (CID 18755575) is 1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole.
What is the SMILES notation for 1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole?
The canonical SMILES for 1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole is CCOc1cccc(CCCn2cnc(-c3ccsc3)c2)c1.
What is the InChIKey of 1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole?
The InChIKey is KSHIYPDEZNRKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-2-21-17-7-3-5-15(11-17)6-4-9-20-12-18(19-14-20)16-8-10-22-13-16/h3,5,7-8,10-14H,2,4,6,9H2,1H3.
What are the key properties of 1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole?
1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole has a molecular weight of 312.44 g/mol, XLogP of 4.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-ethoxyphenyl)propyl]-4-thiophen-3-ylimidazole is sourced from PubChem (CID 18755575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).