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

C11H10N4S — CID 15057077

IUPAC2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole
SMILESc1csc(Cn2ccnc2-c2ncc[nH]2)c1
InChIInChI=1S/C11H10N4S/c1-2-9(16-7-1)8-15-6-5-14-11(15)10-12-3-4-13-10/h1-7H,8H2,(H,12,13)
InChIKeySWCCCVGEPXCKHC-UHFFFAOYSA-N
MW230.30 g/mol
LogP2.38
Rot. Bonds3

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

2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole (PubChem CID 15057077) has the molecular formula C11H10N4S and a molecular weight of 230.30 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole
PubChem CID15057077
Molecular FormulaC11H10N4S
Molecular Weight230.30 g/mol
Exact Mass230.06
IUPAC Name2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole
SMILESc1csc(Cn2ccnc2-c2ncc[nH]2)c1
InChIInChI=1S/C11H10N4S/c1-2-9(16-7-1)8-15-6-5-14-11(15)10-12-3-4-13-10/h1-7H,8H2,(H,12,13)
InChIKeySWCCCVGEPXCKHC-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-2-yl)-1-(thiophen-2-ylmethyl)imidazole?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole (CID 15057077) is 2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole is c1csc(Cn2ccnc2-c2ncc[nH]2)c1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole?
The InChIKey is SWCCCVGEPXCKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4S/c1-2-9(16-7-1)8-15-6-5-14-11(15)10-12-3-4-13-10/h1-7H,8H2,(H,12,13).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(thiophen-2-ylmethyl)imidazole?
2-(1H-imidazol-2-yl)-1-(thiophen-2-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-2-yl)-1-(thiophen-2-ylmethyl)imidazole is sourced from PubChem (CID 15057077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).