4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine

C21H28N4O — CID 92628553

IUPAC4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine
SMILESC=CCN1CCc2cc(-c3cncn3[C@@H](C)CN3CCOCC3)ccc21
InChIInChI=1S/C21H28N4O/c1-3-7-24-8-6-19-13-18(4-5-20(19)24)21-14-22-16-25(21)17(2)15-23-9-11-26-12-10-23/h3-5,13-14,16-17H,1,6-12,15H2,2H3/t17-/m0/s1
InChIKeyOQJFOQOMATVBOK-KRWDZBQOSA-N
MW352.48 g/mol
LogP2.99
Rot. Bonds6

About 4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine

4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine (PubChem CID 92628553) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine
PubChem CID92628553
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine
SMILESC=CCN1CCc2cc(-c3cncn3[C@@H](C)CN3CCOCC3)ccc21
InChIInChI=1S/C21H28N4O/c1-3-7-24-8-6-19-13-18(4-5-20(19)24)21-14-22-16-25(21)17(2)15-23-9-11-26-12-10-23/h3-5,13-14,16-17H,1,6-12,15H2,2H3/t17-/m0/s1
InChIKeyOQJFOQOMATVBOK-KRWDZBQOSA-N
XLogP2.99
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine
CID 46980346
4-[2-[5-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)imidazol-1-yl]butyl]morpholine;hydrochloride
CID 118741788
4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride
CID 171667674
1-propyl-5-[3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]imidazol-4-yl]-2,3-dihydroindole
CID 46980341
1-prop-2-enyl-2,3-dihydroindol-5-ol
CID 175212901
4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine
CID 46980320
4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine
CID 46980375
4-[(2R)-2-[5-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]propyl]morpholine
CID 92628912
4-[2-[5-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]propyl]morpholine;hydrochloride
CID 171667753
5-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]pyridin-2-amine
CID 114719365
4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine
CID 114719163
N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102662677

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine (CID 92628553) is 4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine is C=CCN1CCc2cc(-c3cncn3[C@@H](C)CN3CCOCC3)ccc21.
What is the InChIKey of 4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine?
The InChIKey is OQJFOQOMATVBOK-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N4O/c1-3-7-24-8-6-19-13-18(4-5-20(19)24)21-14-22-16-25(21)17(2)15-23-9-11-26-12-10-23/h3-5,13-14,16-17H,1,6-12,15H2,2H3/t17-/m0/s1.
What are the key properties of 4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine?
4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine has a molecular weight of 352.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 92628553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).