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

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Related Compounds

MAT-POS-ea426761-49
CID 56864220
5-(1H-imidazol-2-yl)-1H-imidazole-4-carbonitrile
CID 44339716
[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]methanamine
CID 44339734
1-[3-(2-ethyl-1H-imidazol-1-yl)propyl]-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56706438
N,N-dimethyl-3-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)propan-1-amine
CID 56754685
N,N-diethyl-2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethanamine
CID 56758299
1-[2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethyl]pyrrolidin-2-one
CID 56871323
1-(2-methoxyethyl)-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56873208
3-[2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethyl]-1,3-oxazolidin-2-one
CID 56876288
1-[(1-cyclopentylpiperidin-4-yl)methyl]-2'-ethyl-5'-methyl-1H,3'H-2,4'-biimidazole
CID 56878441
N-methyl-N-[2-(5'-methyl-1H,3'H-2,4'-biimidazol-1-yl)ethyl]methanesulfonamide
CID 70754226
5-[2-(1H-imidazol-2-yl)-1H-imidazol-5-yl]-2H-tetrazole
CID 136144101

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).