1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole

C12H14N6 — CID 56760442

IUPAC1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole
SMILESCc1[nH]cnc1-c1nccn1CCn1ccnc1
InChIInChI=1S/C12H14N6/c1-10-11(16-8-15-10)12-14-3-5-18(12)7-6-17-4-2-13-9-17/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKeyKBTUKRJLMREPOW-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.48
Rot. Bonds4

About 1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole

1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole (PubChem CID 56760442) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole.

Molecular Properties

Compound Name1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole
PubChem CID56760442
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole
SMILESCc1[nH]cnc1-c1nccn1CCn1ccnc1
InChIInChI=1S/C12H14N6/c1-10-11(16-8-15-10)12-14-3-5-18(12)7-6-17-4-2-13-9-17/h2-5,8-9H,6-7H2,1H3,(H,15,16)
InChIKeyKBTUKRJLMREPOW-UHFFFAOYSA-N
XLogP1.48
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole?
The IUPAC name of 1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole (CID 56760442) is 1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole.
What is the SMILES notation for 1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole?
The canonical SMILES for 1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole is Cc1[nH]cnc1-c1nccn1CCn1ccnc1.
What is the InChIKey of 1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole?
The InChIKey is KBTUKRJLMREPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-10-11(16-8-15-10)12-14-3-5-18(12)7-6-17-4-2-13-9-17/h2-5,8-9H,6-7H2,1H3,(H,15,16).
What are the key properties of 1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole?
1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole has a molecular weight of 242.29 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-imidazol-1-ylethyl)-2-(5-methyl-1H-imidazol-4-yl)imidazole is sourced from PubChem (CID 56760442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).