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

C17H18N2OS — CID 18755586

IUPAC1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole
SMILESCOc1cccc(CCCn2cnc(-c3ccsc3)c2)c1
InChIInChI=1S/C17H18N2OS/c1-20-16-6-2-4-14(10-16)5-3-8-19-11-17(18-13-19)15-7-9-21-12-15/h2,4,6-7,9-13H,3,5,8H2,1H3
InChIKeyIQXRQFFBKUQCRS-UHFFFAOYSA-N
MW298.41 g/mol
LogP4.25
Rot. Bonds6

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

1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole (PubChem CID 18755586) has the molecular formula C17H18N2OS and a molecular weight of 298.41 g/mol. Its IUPAC name is 1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole.

Molecular Properties

Compound Name1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole
PubChem CID18755586
Molecular FormulaC17H18N2OS
Molecular Weight298.41 g/mol
Exact Mass298.11
IUPAC Name1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole
SMILESCOc1cccc(CCCn2cnc(-c3ccsc3)c2)c1
InChIInChI=1S/C17H18N2OS/c1-20-16-6-2-4-14(10-16)5-3-8-19-11-17(18-13-19)15-7-9-21-12-15/h2,4,6-7,9-13H,3,5,8H2,1H3
InChIKeyIQXRQFFBKUQCRS-UHFFFAOYSA-N
XLogP4.25
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole?
The IUPAC name of 1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole (CID 18755586) is 1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole.
What is the SMILES notation for 1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole?
The canonical SMILES for 1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole is COc1cccc(CCCn2cnc(-c3ccsc3)c2)c1.
What is the InChIKey of 1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole?
The InChIKey is IQXRQFFBKUQCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS/c1-20-16-6-2-4-14(10-16)5-3-8-19-11-17(18-13-19)15-7-9-21-12-15/h2,4,6-7,9-13H,3,5,8H2,1H3.
What are the key properties of 1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole?
1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole has a molecular weight of 298.41 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methoxyphenyl)propyl]-4-thiophen-3-ylimidazole is sourced from PubChem (CID 18755586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).