5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

C14H24N4O — CID 106553000

IUPAC5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCOCCCn1ccnc1N1CC2CNCC2C1
InChIInChI=1S/C14H24N4O/c1-2-19-7-3-5-17-6-4-16-14(17)18-10-12-8-15-9-13(12)11-18/h4,6,12-13,15H,2-3,5,7-11H2,1H3
InChIKeyIQBJXVYESFUVBZ-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.97
Rot. Bonds6

About 5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole

5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (PubChem CID 106553000) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.

Molecular Properties

Compound Name5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
PubChem CID106553000
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
SMILESCCOCCCn1ccnc1N1CC2CNCC2C1
InChIInChI=1S/C14H24N4O/c1-2-19-7-3-5-17-6-4-16-14(17)18-10-12-8-15-9-13(12)11-18/h4,6,12-13,15H,2-3,5,7-11H2,1H3
InChIKeyIQBJXVYESFUVBZ-UHFFFAOYSA-N
XLogP0.97
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1-butylimidazol-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106552991
(4aS,7aS)-6-[1-(3-ethoxypropyl)imidazol-2-yl]-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106553811
1-[1-(3-ethoxypropyl)imidazol-2-yl]pyrrolidin-3-amine
CID 106552450
1-[1-(3-ethoxypropyl)imidazol-2-yl]-N-methylpiperidin-3-amine
CID 106552533
5-(1-prop-2-enylimidazol-2-yl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 106553003
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
3-ethyl-1-[1-(3-methoxypropyl)imidazol-2-yl]piperidin-4-amine
CID 106553250
1-(3-ethoxypropyl)-2-propan-2-ylimidazole
CID 65177942
1-(3-ethoxypropyl)pyrimidin-2-one
CID 116618417
4-[1-(3-ethoxypropyl)imidazol-2-yl]aniline
CID 65175561
(3R)-1-(1-butylimidazol-2-yl)-3-methylpiperazine
CID 106553921
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]propan-2-amine
CID 65181164

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The IUPAC name of 5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (CID 106553000) is 5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole.
What is the SMILES notation for 5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The canonical SMILES for 5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is CCOCCCn1ccnc1N1CC2CNCC2C1.
What is the InChIKey of 5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
The InChIKey is IQBJXVYESFUVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-19-7-3-5-17-6-4-16-14(17)18-10-12-8-15-9-13(12)11-18/h4,6,12-13,15H,2-3,5,7-11H2,1H3.
What are the key properties of 5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole?
5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole has a molecular weight of 264.37 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-ethoxypropyl)imidazol-2-yl]-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole is sourced from PubChem (CID 106553000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).