4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine

C14H21N5O — CID 56758355

IUPAC4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine
SMILESCn1cncc1-c1nccn1CCCN1CCOCC1
InChIInChI=1S/C14H21N5O/c1-17-12-15-11-13(17)14-16-3-6-19(14)5-2-4-18-7-9-20-10-8-18/h3,6,11-12H,2,4-5,7-10H2,1H3
InChIKeyUZUNCHKTWMPFQU-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.01
Rot. Bonds5

About 4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine

4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine (PubChem CID 56758355) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine
PubChem CID56758355
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine
SMILESCn1cncc1-c1nccn1CCCN1CCOCC1
InChIInChI=1S/C14H21N5O/c1-17-12-15-11-13(17)14-16-3-6-19(14)5-2-4-18-7-9-20-10-8-18/h3,6,11-12H,2,4-5,7-10H2,1H3
InChIKeyUZUNCHKTWMPFQU-UHFFFAOYSA-N
XLogP1.01
TPSA48.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine (CID 56758355) is 4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine is Cn1cncc1-c1nccn1CCCN1CCOCC1.
What is the InChIKey of 4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine?
The InChIKey is UZUNCHKTWMPFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-17-12-15-11-13(17)14-16-3-6-19(14)5-2-4-18-7-9-20-10-8-18/h3,6,11-12H,2,4-5,7-10H2,1H3.
What are the key properties of 4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine?
4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine has a molecular weight of 275.36 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(3-methylimidazol-4-yl)imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 56758355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).