[2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone

C14H14ClN3O2 — CID 112732538

IUPAC[2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone
SMILESO=C(N1CCOC(c2ccc(Cl)cc2)C1)n1ccnc1
InChIInChI=1S/C14H14ClN3O2/c15-12-3-1-11(2-4-12)13-9-17(7-8-20-13)14(19)18-6-5-16-10-18/h1-6,10,13H,7-9H2
InChIKeyHGBHMNAVPWQBOU-UHFFFAOYSA-N
MW291.74 g/mol
LogP2.58
Rot. Bonds1

About [2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone

[2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone (PubChem CID 112732538) has the molecular formula C14H14ClN3O2 and a molecular weight of 291.74 g/mol. Its IUPAC name is [2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone
PubChem CID112732538
Molecular FormulaC14H14ClN3O2
Molecular Weight291.74 g/mol
Exact Mass291.08
IUPAC Name[2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone
SMILESO=C(N1CCOC(c2ccc(Cl)cc2)C1)n1ccnc1
InChIInChI=1S/C14H14ClN3O2/c15-12-3-1-11(2-4-12)13-9-17(7-8-20-13)14(19)18-6-5-16-10-18/h1-6,10,13H,7-9H2
InChIKeyHGBHMNAVPWQBOU-UHFFFAOYSA-N
XLogP2.58
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

imidazol-1-yl-(2-phenylmorpholin-4-yl)methanone
CID 112725534
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 56757034
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
2-(4-chlorophenyl)-1-[2-(4-chlorophenyl)morpholin-4-yl]-2-methylpropan-1-one
CID 55982913
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-ethylbutan-1-one
CID 110327064
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
CID 56741046
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
(2S)-2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 107569033
[2-(4-chlorophenyl)morpholin-4-yl]-(thiadiazol-5-yl)methanone
CID 47341691
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-4-pyrazol-1-ylbutan-1-one
CID 94393017

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone?
The IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone (CID 112732538) is [2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone is O=C(N1CCOC(c2ccc(Cl)cc2)C1)n1ccnc1.
What is the InChIKey of [2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone?
The InChIKey is HGBHMNAVPWQBOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O2/c15-12-3-1-11(2-4-12)13-9-17(7-8-20-13)14(19)18-6-5-16-10-18/h1-6,10,13H,7-9H2.
What are the key properties of [2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone?
[2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone has a molecular weight of 291.74 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)morpholin-4-yl]-imidazol-1-ylmethanone is sourced from PubChem (CID 112732538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).