1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole

C12H14N6 — CID 56739332

IUPAC1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole
SMILESCc1[nH]cnc1-c1nccn1CCc1cnc[nH]1
InChIInChI=1S/C12H14N6/c1-9-11(17-8-15-9)12-14-3-5-18(12)4-2-10-6-13-7-16-10/h3,5-8H,2,4H2,1H3,(H,13,16)(H,15,17)
InChIKeyLMNLWOSRISKLGO-UHFFFAOYSA-N
MW242.29 g/mol
LogP1.55
Rot. Bonds4

About 1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole

1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole (PubChem CID 56739332) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole.

Molecular Properties

Compound Name1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole
PubChem CID56739332
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole
SMILESCc1[nH]cnc1-c1nccn1CCc1cnc[nH]1
InChIInChI=1S/C12H14N6/c1-9-11(17-8-15-9)12-14-3-5-18(12)4-2-10-6-13-7-16-10/h3,5-8H,2,4H2,1H3,(H,13,16)(H,15,17)
InChIKeyLMNLWOSRISKLGO-UHFFFAOYSA-N
XLogP1.55
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-Imidazol-2-ylmethyl)-5-(1H-imidazol-5-ylmethyl)-1H-imidazole
CID 370230
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
2'-butyl-1-pyrrolidin-3-yl-1H,1'H-2,4'-biimidazole
CID 70717171
5'-methyl-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H,3'H-2,4'-biimidazole
CID 70787208
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-[(4-methyl-1H-imidazol-5-yl)methyl]cyclopropanamine
CID 50984119
5'-methyl-1-(2,2,2-trifluoroethyl)-1H,3'H-2,4'-biimidazole
CID 56916971
4-(1H-imidazol-2-yl)-1-[2-(1H-imidazol-4-yl)ethyl]-1H-1,2,3-triazole
CID 72898518
4,5-difluoro-2-[1-(1H-imidazol-2-yl)-2-methylimidazol-4-yl]-1H-imidazole
CID 173087368
2-(1H-imidazol-5-yl)-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 6395323
5-(1H-imidazol-5-yl)-2-[5-(1H-imidazol-5-yl)-1H-imidazol-2-yl]-1H-imidazole
CID 10989187

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole?
The IUPAC name of 1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole (CID 56739332) is 1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole.
What is the SMILES notation for 1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole?
The canonical SMILES for 1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole is Cc1[nH]cnc1-c1nccn1CCc1cnc[nH]1.
What is the InChIKey of 1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole?
The InChIKey is LMNLWOSRISKLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6/c1-9-11(17-8-15-9)12-14-3-5-18(12)4-2-10-6-13-7-16-10/h3,5-8H,2,4H2,1H3,(H,13,16)(H,15,17).
What are the key properties of 1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole?
1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole has a molecular weight of 242.29 g/mol, XLogP of 1.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-imidazol-5-yl)ethyl]-2-(5-methyl-1H-imidazol-4-yl)imidazole is sourced from PubChem (CID 56739332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).