1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole

C13H16N6 — CID 56748562

IUPAC1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole
SMILESCn1ccnc1-c1nccn1CCCn1ccnc1
InChIInChI=1S/C13H16N6/c1-17-8-4-15-12(17)13-16-5-10-19(13)7-2-6-18-9-3-14-11-18/h3-5,8-11H,2,6-7H2,1H3
InChIKeyLHLAIKNZCILYFA-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.57
Rot. Bonds5

About 1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole

1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole (PubChem CID 56748562) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole
PubChem CID56748562
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC Name1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole
SMILESCn1ccnc1-c1nccn1CCCn1ccnc1
InChIInChI=1S/C13H16N6/c1-17-8-4-15-12(17)13-16-5-10-19(13)7-2-6-18-9-3-14-11-18/h3-5,8-11H,2,6-7H2,1H3
InChIKeyLHLAIKNZCILYFA-UHFFFAOYSA-N
XLogP1.57
TPSA53.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-methylimidazole zinc salt
CID 15245636
1,1'-Hexane-1,6-diylbis(1H-imidazole)
CID 16122577
Tris(1-methylimidazol-2-yl)-sulfanylidene-lambda5-phosphane
CID 2998775
Tris(1-ethenylimidazol-2-yl)-sulfanylidene-lambda5-phosphane
CID 5010064
1-Methyl-3-[6-(3-methylimidazol-3-ium-1-yl)hexyl]imidazol-1-ium diiodide
CID 12036657
1,1'-(1,4-Butanediyl)bis(imidazole)
CID 5251826
1-Butyl-3-methyl-1H-imidazol-3-ium bromide (1/1)
CID 56923594
2-Butyl-1-[2-(2-butylimidazol-1-yl)ethyl]imidazole;hydrochloride
CID 6603041
1,4-Bis[(1-methylimidazol-2-yl)methyl]piperazine
CID 2946281
1-(1-Imidazol-1-yl-1-methyl-ethyl)imidazole
CID 3007429
1,1'-Dimethyl-1H,1'H-2,2'-biimidazole
CID 10123778
1,1'-(1,5-Pentanediyl)bis[1H-imidazole]
CID 10845871

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole?
The IUPAC name of 1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole (CID 56748562) is 1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole.
What is the SMILES notation for 1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole?
The canonical SMILES for 1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole is Cn1ccnc1-c1nccn1CCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole?
The InChIKey is LHLAIKNZCILYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-17-8-4-15-12(17)13-16-5-10-19(13)7-2-6-18-9-3-14-11-18/h3-5,8-11H,2,6-7H2,1H3.
What are the key properties of 1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole?
1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole has a molecular weight of 256.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropyl)-2-(1-methylimidazol-2-yl)imidazole is sourced from PubChem (CID 56748562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).