(3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone

C18H23N3O3 — CID 138993855

IUPAC(3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone
SMILESCOc1cccc(-c2nc(C(=O)N3CCOCC3(C)C)c(C)[nH]2)c1
InChIInChI=1S/C18H23N3O3/c1-12-15(17(22)21-8-9-24-11-18(21,2)3)20-16(19-12)13-6-5-7-14(10-13)23-4/h5-7,10H,8-9,11H2,1-4H3,(H,19,20)
InChIKeyWCIUAKCVDHIJMR-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.64
Rot. Bonds3

About (3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone

(3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone (PubChem CID 138993855) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone.

Molecular Properties

Compound Name(3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone
PubChem CID138993855
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone
SMILESCOc1cccc(-c2nc(C(=O)N3CCOCC3(C)C)c(C)[nH]2)c1
InChIInChI=1S/C18H23N3O3/c1-12-15(17(22)21-8-9-24-11-18(21,2)3)20-16(19-12)13-6-5-7-14(10-13)23-4/h5-7,10H,8-9,11H2,1-4H3,(H,19,20)
InChIKeyWCIUAKCVDHIJMR-UHFFFAOYSA-N
XLogP2.64
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone?
The IUPAC name of (3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone (CID 138993855) is (3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone.
What is the SMILES notation for (3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone?
The canonical SMILES for (3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone is COc1cccc(-c2nc(C(=O)N3CCOCC3(C)C)c(C)[nH]2)c1.
What is the InChIKey of (3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone?
The InChIKey is WCIUAKCVDHIJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-12-15(17(22)21-8-9-24-11-18(21,2)3)20-16(19-12)13-6-5-7-14(10-13)23-4/h5-7,10H,8-9,11H2,1-4H3,(H,19,20).
What are the key properties of (3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone?
(3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone has a molecular weight of 329.40 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethylmorpholin-4-yl)-[2-(3-methoxyphenyl)-5-methyl-1H-imidazol-4-yl]methanone is sourced from PubChem (CID 138993855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).