1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one

C19H25N3O3 — CID 132764590

IUPAC1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
SMILESCc1ccccc1CC1(CO)CN(C(=O)CCn2ccnc2)CCO1
InChIInChI=1S/C19H25N3O3/c1-16-4-2-3-5-17(16)12-19(14-23)13-22(10-11-25-19)18(24)6-8-21-9-7-20-15-21/h2-5,7,9,15,23H,6,8,10-14H2,1H3
InChIKeyJSACHKPCWXCPAP-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.41
Rot. Bonds6

About 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one

1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one (PubChem CID 132764590) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
PubChem CID132764590
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
SMILESCc1ccccc1CC1(CO)CN(C(=O)CCn2ccnc2)CCO1
InChIInChI=1S/C19H25N3O3/c1-16-4-2-3-5-17(16)12-19(14-23)13-22(10-11-25-19)18(24)6-8-21-9-7-20-15-21/h2-5,7,9,15,23H,6,8,10-14H2,1H3
InChIKeyJSACHKPCWXCPAP-UHFFFAOYSA-N
XLogP1.41
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-(5-methylpyrazol-1-yl)propan-1-one
CID 132765108
1-[2-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 132765075
1-[6-hydroxy-6-[(2-methylphenoxy)methyl]-1,4-oxazepan-4-yl]-3-imidazol-1-ylpropan-1-one
CID 132765216
4-imidazol-1-yl-1-(2-methylphenyl)butan-2-one
CID 20518887
1-[2-[(4-chloro-3-methylphenoxy)methyl]-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 132768683
[2-[(2-methylphenyl)methyl]-4-(oxan-4-yl)morpholin-2-yl]methanol
CID 155992738
1-[2-[(2-fluorophenyl)methyl]-2-(hydroxymethyl)morpholin-4-yl]-2-phenoxyethanone
CID 132770873
1-[2-(hydroxymethyl)morpholin-4-yl]-3-imidazol-1-ylpropan-1-one
CID 81208109
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 132770482
1-[2-benzyl-2-(hydroxymethyl)morpholin-4-yl]-2-(2-methoxyphenyl)ethanone
CID 132777548
3-imidazol-1-yl-1-(4-methyl-3-phenylpiperazin-1-yl)propan-1-one
CID 110098304
1-[3,5-bis(3-imidazol-1-ylpropanoyl)-1,3,5-triazinan-1-yl]-3-imidazol-1-ylpropan-1-one
CID 118048041

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one?
The IUPAC name of 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one (CID 132764590) is 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one?
The canonical SMILES for 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one is Cc1ccccc1CC1(CO)CN(C(=O)CCn2ccnc2)CCO1.
What is the InChIKey of 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one?
The InChIKey is JSACHKPCWXCPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-16-4-2-3-5-17(16)12-19(14-23)13-22(10-11-25-19)18(24)6-8-21-9-7-20-15-21/h2-5,7,9,15,23H,6,8,10-14H2,1H3.
What are the key properties of 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one?
1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one has a molecular weight of 343.43 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)-2-[(2-methylphenyl)methyl]morpholin-4-yl]-3-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 132764590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).