1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole

C8H10N2S — CID 57032743

IUPAC1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole
SMILESC1=NCCN1Cc1cccs1
InChIInChI=1S/C8H10N2S/c1-2-8(11-5-1)6-10-4-3-9-7-10/h1-2,5,7H,3-4,6H2
InChIKeyGBFYSAJDBNPPAV-UHFFFAOYSA-N
MW166.25 g/mol
LogP1.59
Rot. Bonds2

About 1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole

1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole (PubChem CID 57032743) has the molecular formula C8H10N2S and a molecular weight of 166.25 g/mol. Its IUPAC name is 1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole
PubChem CID57032743
Molecular FormulaC8H10N2S
Molecular Weight166.25 g/mol
Exact Mass166.06
IUPAC Name1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole
SMILESC1=NCCN1Cc1cccs1
InChIInChI=1S/C8H10N2S/c1-2-8(11-5-1)6-10-4-3-9-7-10/h1-2,5,7H,3-4,6H2
InChIKeyGBFYSAJDBNPPAV-UHFFFAOYSA-N
XLogP1.59
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole (CID 57032743) is 1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole is C1=NCCN1Cc1cccs1.
What is the InChIKey of 1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole?
The InChIKey is GBFYSAJDBNPPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2S/c1-2-8(11-5-1)6-10-4-3-9-7-10/h1-2,5,7H,3-4,6H2.
What are the key properties of 1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole?
1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole has a molecular weight of 166.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(thiophen-2-ylmethyl)-4,5-dihydroimidazole is sourced from PubChem (CID 57032743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).