1-(2-imidazol-1-ylethyl)imidazole

C8H10N4 — CID 5324087

IUPAC1-(2-imidazol-1-ylethyl)imidazole
SMILESc1cn(CCn2ccnc2)cn1
InChIInChI=1S/C8H10N4/c1-3-11(7-9-1)5-6-12-4-2-10-8-12/h1-4,7-8H,5-6H2
InChIKeyYBXNRUYDSYXYFU-UHFFFAOYSA-N
MW162.20 g/mol
LogP0.78
Rot. Bonds3

About 1-(2-imidazol-1-ylethyl)imidazole

1-(2-imidazol-1-ylethyl)imidazole (PubChem CID 5324087) has the molecular formula C8H10N4 and a molecular weight of 162.20 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)imidazole.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)imidazole
PubChem CID5324087
Molecular FormulaC8H10N4
Molecular Weight162.20 g/mol
Exact Mass162.09
IUPAC Name1-(2-imidazol-1-ylethyl)imidazole
SMILESc1cn(CCn2ccnc2)cn1
InChIInChI=1S/C8H10N4/c1-3-11(7-9-1)5-6-12-4-2-10-8-12/h1-4,7-8H,5-6H2
InChIKeyYBXNRUYDSYXYFU-UHFFFAOYSA-N
XLogP0.78
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.20
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)imidazole?
The IUPAC name of 1-(2-imidazol-1-ylethyl)imidazole (CID 5324087) is 1-(2-imidazol-1-ylethyl)imidazole.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)imidazole?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)imidazole is c1cn(CCn2ccnc2)cn1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)imidazole?
The InChIKey is YBXNRUYDSYXYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4/c1-3-11(7-9-1)5-6-12-4-2-10-8-12/h1-4,7-8H,5-6H2.
What are the key properties of 1-(2-imidazol-1-ylethyl)imidazole?
1-(2-imidazol-1-ylethyl)imidazole has a molecular weight of 162.20 g/mol, XLogP of 0.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)imidazole is sourced from PubChem (CID 5324087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).