2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole

C11H10N4S — CID 56755360

IUPAC2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole
SMILESc1cn(Cc2ccsc2)c(-c2cnc[nH]2)n1
InChIInChI=1S/C11H10N4S/c1-4-16-7-9(1)6-15-3-2-13-11(15)10-5-12-8-14-10/h1-5,7-8H,6H2,(H,12,14)
InChIKeyDDASSPHTNRWBHI-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.38
Rot. Bonds3

About 2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole

2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole (PubChem CID 56755360) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole
PubChem CID56755360
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole
SMILESc1cn(Cc2ccsc2)c(-c2cnc[nH]2)n1
InChIInChI=1S/C11H10N4S/c1-4-16-7-9(1)6-15-3-2-13-11(15)10-5-12-8-14-10/h1-5,7-8H,6H2,(H,12,14)
InChIKeyDDASSPHTNRWBHI-UHFFFAOYSA-N
XLogP2.38
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole?
The IUPAC name of 2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole (CID 56755360) is 2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole.
What is the SMILES notation for 2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole?
The canonical SMILES for 2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole is c1cn(Cc2ccsc2)c(-c2cnc[nH]2)n1.
What is the InChIKey of 2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole?
The InChIKey is DDASSPHTNRWBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-4-16-7-9(1)6-15-3-2-13-11(15)10-5-12-8-14-10/h1-5,7-8H,6H2,(H,12,14).
What are the key properties of 2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole?
2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole has a molecular weight of 230.30 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)-1-(thiophen-3-ylmethyl)imidazole is sourced from PubChem (CID 56755360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).