1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole

C12H15N3S — CID 62371626

IUPAC1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole
SMILESc1csc(-c2nccn2CC2CCNC2)c1
InChIInChI=1S/C12H15N3S/c1-2-11(16-7-1)12-14-5-6-15(12)9-10-3-4-13-8-10/h1-2,5-7,10,13H,3-4,8-9H2
InChIKeyWHUOONCHZSFEKP-UHFFFAOYSA-N
MW233.34 g/mol
LogP2.22
Rot. Bonds3

About 1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole

1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole (PubChem CID 62371626) has the molecular formula C12H15N3S and a molecular weight of 233.34 g/mol. Its IUPAC name is 1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole.

Molecular Properties

Compound Name1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole
PubChem CID62371626
Molecular FormulaC12H15N3S
Molecular Weight233.34 g/mol
Exact Mass233.10
IUPAC Name1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole
SMILESc1csc(-c2nccn2CC2CCNC2)c1
InChIInChI=1S/C12H15N3S/c1-2-11(16-7-1)12-14-5-6-15(12)9-10-3-4-13-8-10/h1-2,5-7,10,13H,3-4,8-9H2
InChIKeyWHUOONCHZSFEKP-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole?
The IUPAC name of 1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole (CID 62371626) is 1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole.
What is the SMILES notation for 1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole?
The canonical SMILES for 1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole is c1csc(-c2nccn2CC2CCNC2)c1.
What is the InChIKey of 1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole?
The InChIKey is WHUOONCHZSFEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3S/c1-2-11(16-7-1)12-14-5-6-15(12)9-10-3-4-13-8-10/h1-2,5-7,10,13H,3-4,8-9H2.
What are the key properties of 1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole?
1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole has a molecular weight of 233.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-3-ylmethyl)-2-thiophen-2-ylimidazole is sourced from PubChem (CID 62371626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).