[2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone

C16H18ClN3O2 — CID 102604353

IUPAC[2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCOC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H18ClN3O2/c1-19-7-6-18-15(19)16(21)20-8-9-22-14(11-20)10-12-2-4-13(17)5-3-12/h2-7,14H,8-11H2,1H3
InChIKeyXYMUUIBWMVSITI-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.16
Rot. Bonds3

About [2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone

[2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone (PubChem CID 102604353) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is [2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
PubChem CID102604353
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name[2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)N1CCOC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C16H18ClN3O2/c1-19-7-6-18-15(19)16(21)20-8-9-22-14(11-20)10-12-2-4-13(17)5-3-12/h2-7,14H,8-11H2,1H3
InChIKeyXYMUUIBWMVSITI-UHFFFAOYSA-N
XLogP2.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(1-methylimidazol-2-yl)-[(2S)-2-(pyrrolidin-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 99945320
[3-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 110119528
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922
[2-(1-aminoethyl)morpholin-4-yl]-(1-methylimidazol-2-yl)methanone
CID 113284997
(1-methylimidazol-2-yl)-[2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 110102627
[(2S)-2-[(4-methoxyphenyl)methyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 124977955
[(2S)-2-benzylmorpholin-4-yl]-(2-methyl-3-pyridinyl)methanone
CID 42515870
(1-methylimidazol-2-yl)-[2-(2-methyltetrazol-5-yl)morpholin-4-yl]methanone
CID 157014614
[2-[(3-chlorophenyl)methyl]morpholin-4-yl]-pyridin-2-ylmethanone
CID 102604264
(4-chlorophenyl)-[(2S)-2-[2-(dimethylamino)ethyl]morpholin-4-yl]methanone
CID 26407031
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
1-[2-[(4-fluorophenyl)methyl]morpholin-4-yl]ethanone
CID 102604185

Frequently Asked Questions

What is the IUPAC name of [2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone (CID 102604353) is [2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)N1CCOC(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of [2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is XYMUUIBWMVSITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-19-7-6-18-15(19)16(21)20-8-9-22-14(11-20)10-12-2-4-13(17)5-3-12/h2-7,14H,8-11H2,1H3.
What are the key properties of [2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone?
[2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 319.79 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-chlorophenyl)methyl]morpholin-4-yl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 102604353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).