3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole

C21H25N3 — CID 100961617

IUPAC3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
SMILESCCN1C2=NCC(Cc3ccccc3)N2CC1Cc1ccccc1
InChIInChI=1S/C21H25N3/c1-2-23-20(14-18-11-7-4-8-12-18)16-24-19(15-22-21(23)24)13-17-9-5-3-6-10-17/h3-12,19-20H,2,13-16H2,1H3
InChIKeyMUCHEDSAYWKZIP-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.22
Rot. Bonds5

About 3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole

3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole (PubChem CID 100961617) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole.

Molecular Properties

Compound Name3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
PubChem CID100961617
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
SMILESCCN1C2=NCC(Cc3ccccc3)N2CC1Cc1ccccc1
InChIInChI=1S/C21H25N3/c1-2-23-20(14-18-11-7-4-8-12-18)16-24-19(15-22-21(23)24)13-17-9-5-3-6-10-17/h3-12,19-20H,2,13-16H2,1H3
InChIKeyMUCHEDSAYWKZIP-UHFFFAOYSA-N
XLogP3.22
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-1-ethyl-2,3-dihydroindole
CID 70645248
(3S,6S)-7-(cyclobutylmethyl)-6-[(4-methoxyphenyl)methyl]-3-propyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole
CID 46905625
(2R)-2-benzyl-1-methylaziridine
CID 87174257
(5S)-5-benzyl-1-butyl-4,5-dihydroimidazol-2-amine
CID 23640807
4-[[(5R,8R,11R)-8,11-dibenzyl-4-(2-phenylethyl)-4,7,10,13-tetrazatricyclo[8.3.0.03,7]trideca-1(13),2-dien-5-yl]methyl]phenol
CID 132531420
(5S)-5-benzyl-1-(2,2-dimethylpropyl)-4,5-dihydroimidazol-2-amine
CID 23640797
4-[[(5R,8R,11R)-8-benzyl-4-(2-phenylethyl)-11-propan-2-yl-4,7,10,13-tetrazatricyclo[8.3.0.03,7]trideca-1(13),2-dien-5-yl]methyl]phenol
CID 132531430
4-[[(5S,8S,11S)-8-benzyl-4-(2-phenylethyl)-11-propan-2-yl-4,7,10,13-tetrazatricyclo[8.3.0.03,7]trideca-1(13),2-dien-5-yl]methyl]phenol
CID 122181108
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
2-benzyl-1-octylaziridine
CID 102467094
4-benzyl-1-butylazetidin-2-one
CID 86190057
2-benzyl-1,4,7-trimethyl-1,4,7-triazonane
CID 19975076

Frequently Asked Questions

What is the IUPAC name of 3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole?
The IUPAC name of 3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole (CID 100961617) is 3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole.
What is the SMILES notation for 3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole?
The canonical SMILES for 3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole is CCN1C2=NCC(Cc3ccccc3)N2CC1Cc1ccccc1.
What is the InChIKey of 3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole?
The InChIKey is MUCHEDSAYWKZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-2-23-20(14-18-11-7-4-8-12-18)16-24-19(15-22-21(23)24)13-17-9-5-3-6-10-17/h3-12,19-20H,2,13-16H2,1H3.
What are the key properties of 3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole?
3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole has a molecular weight of 319.45 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibenzyl-7-ethyl-2,3,5,6-tetrahydroimidazo[1,2-a]imidazole is sourced from PubChem (CID 100961617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).