[2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone

C14H20N5O2+ — CID 54170764

IUPAC[2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone
SMILESCC1=CN=C(C)[N+]1(C(=O)N1CCOCC1)c1ncc(C)[nH]1
InChIInChI=1S/C14H20N5O2/c1-10-8-16-13(17-10)19(11(2)9-15-12(19)3)14(20)18-4-6-21-7-5-18/h8-9H,4-7H2,1-3H3,(H,16,17)/q+1
InChIKeyMLUXPBAXJDBZAI-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.77
Rot. Bonds1

About [2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone

[2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone (PubChem CID 54170764) has the molecular formula C14H20N5O2+ and a molecular weight of 290.35 g/mol. Its IUPAC name is [2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone
PubChem CID54170764
Molecular FormulaC14H20N5O2+
Molecular Weight290.35 g/mol
Exact Mass290.16
IUPAC Name[2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone
SMILESCC1=CN=C(C)[N+]1(C(=O)N1CCOCC1)c1ncc(C)[nH]1
InChIInChI=1S/C14H20N5O2/c1-10-8-16-13(17-10)19(11(2)9-15-12(19)3)14(20)18-4-6-21-7-5-18/h8-9H,4-7H2,1-3H3,(H,16,17)/q+1
InChIKeyMLUXPBAXJDBZAI-UHFFFAOYSA-N
XLogP1.77
TPSA70.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone (CID 54170764) is [2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone is CC1=CN=C(C)[N+]1(C(=O)N1CCOCC1)c1ncc(C)[nH]1.
What is the InChIKey of [2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone?
The InChIKey is MLUXPBAXJDBZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N5O2/c1-10-8-16-13(17-10)19(11(2)9-15-12(19)3)14(20)18-4-6-21-7-5-18/h8-9H,4-7H2,1-3H3,(H,16,17)/q+1.
What are the key properties of [2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone?
[2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone has a molecular weight of 290.35 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-1-(5-methyl-1H-imidazol-2-yl)imidazol-1-ium-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 54170764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).