1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone

C14H23N3O2 — CID 45169973

IUPAC1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCC(C)CCCC1CN(C(=O)c2cnc[nH]2)CCO1
InChIInChI=1S/C14H23N3O2/c1-11(2)4-3-5-12-9-17(6-7-19-12)14(18)13-8-15-10-16-13/h8,10-12H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyZHULFOYQGCCMNJ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.08
Rot. Bonds5

About 1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone

1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone (PubChem CID 45169973) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone
PubChem CID45169973
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone
SMILESCC(C)CCCC1CN(C(=O)c2cnc[nH]2)CCO1
InChIInChI=1S/C14H23N3O2/c1-11(2)4-3-5-12-9-17(6-7-19-12)14(18)13-8-15-10-16-13/h8,10-12H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyZHULFOYQGCCMNJ-UHFFFAOYSA-N
XLogP2.08
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The IUPAC name of 1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone (CID 45169973) is 1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone.
What is the SMILES notation for 1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The canonical SMILES for 1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone is CC(C)CCCC1CN(C(=O)c2cnc[nH]2)CCO1.
What is the InChIKey of 1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone?
The InChIKey is ZHULFOYQGCCMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)4-3-5-12-9-17(6-7-19-12)14(18)13-8-15-10-16-13/h8,10-12H,3-7,9H2,1-2H3,(H,15,16).
What are the key properties of 1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone?
1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone has a molecular weight of 265.36 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-5-yl-[2-(4-methylpentyl)morpholin-4-yl]methanone is sourced from PubChem (CID 45169973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).