[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone

C18H24N4O2 — CID 118739985

IUPAC[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCOC(c2ncc(CN(C)C)[nH]2)C1
InChIInChI=1S/C18H24N4O2/c1-13-6-4-5-7-15(13)18(23)22-8-9-24-16(12-22)17-19-10-14(20-17)11-21(2)3/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,19,20)
InChIKeyCXLYCKMCCFTYPF-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.99
Rot. Bonds4

About [2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone

[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone (PubChem CID 118739985) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone.

Molecular Properties

Compound Name[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone
PubChem CID118739985
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)N1CCOC(c2ncc(CN(C)C)[nH]2)C1
InChIInChI=1S/C18H24N4O2/c1-13-6-4-5-7-15(13)18(23)22-8-9-24-16(12-22)17-19-10-14(20-17)11-21(2)3/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,19,20)
InChIKeyCXLYCKMCCFTYPF-UHFFFAOYSA-N
XLogP1.99
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone?
The IUPAC name of [2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone (CID 118739985) is [2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone.
What is the SMILES notation for [2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone?
The canonical SMILES for [2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone is Cc1ccccc1C(=O)N1CCOC(c2ncc(CN(C)C)[nH]2)C1.
What is the InChIKey of [2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone?
The InChIKey is CXLYCKMCCFTYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-13-6-4-5-7-15(13)18(23)22-8-9-24-16(12-22)17-19-10-14(20-17)11-21(2)3/h4-7,10,16H,8-9,11-12H2,1-3H3,(H,19,20).
What are the key properties of [2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone?
[2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-[(dimethylamino)methyl]-1H-imidazol-2-yl]morpholin-4-yl]-(2-methylphenyl)methanone is sourced from PubChem (CID 118739985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).