4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine

C19H24N4O — CID 46980320

IUPAC4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine
SMILESCc1c(-c2cncn2C(C)CN2CCOCC2)[nH]c2ccccc12
InChIInChI=1S/C19H24N4O/c1-14(12-22-7-9-24-10-8-22)23-13-20-11-18(23)19-15(2)16-5-3-4-6-17(16)21-19/h3-6,11,13-14,21H,7-10,12H2,1-2H3
InChIKeyRVOSZCZEUVYAEG-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.23
Rot. Bonds4

About 4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine

4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine (PubChem CID 46980320) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine
PubChem CID46980320
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine
SMILESCc1c(-c2cncn2C(C)CN2CCOCC2)[nH]c2ccccc12
InChIInChI=1S/C19H24N4O/c1-14(12-22-7-9-24-10-8-22)23-13-20-11-18(23)19-15(2)16-5-3-4-6-17(16)21-19/h3-6,11,13-14,21H,7-10,12H2,1-2H3
InChIKeyRVOSZCZEUVYAEG-UHFFFAOYSA-N
XLogP3.23
TPSA46.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

4-[(2R)-2-[5-(3-chloro-1H-indol-2-yl)imidazol-1-yl]butyl]morpholine
CID 92628524
4-[2-[5-(1,5-dimethyl-3-phenylpyrazol-4-yl)imidazol-1-yl]propyl]morpholine
CID 46980375
4-[2-[5-[1-(4-methylphenyl)pyrazol-4-yl]imidazol-1-yl]propyl]morpholine;hydrochloride
CID 171667674
3-methyl-1-[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]butan-1-amine
CID 114705044
4-[(2R)-2-[5-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]propyl]morpholine
CID 92628912
4-[(2R)-2-[4-(2-methyl-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]propyl]morpholine
CID 97128541
4-[2-[5-(7-methoxy-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)imidazol-1-yl]propyl]morpholine;hydrochloride
CID 171667753
2-methyl-N-[[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]methyl]propan-2-amine
CID 66150505
4-[2-[5-(4-methylpiperidin-4-yl)imidazol-1-yl]propyl]morpholine
CID 114719163
4-[(2S)-2-[5-(1-prop-2-enyl-2,3-dihydroindol-5-yl)imidazol-1-yl]propyl]morpholine
CID 92628553
[3-(1-morpholin-4-ylpropan-2-yl)imidazol-4-yl]-(oxolan-3-yl)methanamine
CID 114719164
4-[3-(2-methyl-1H-indol-3-yl)propyl]morpholine
CID 170870878

Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine?
The IUPAC name of 4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine (CID 46980320) is 4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine.
What is the SMILES notation for 4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine?
The canonical SMILES for 4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine is Cc1c(-c2cncn2C(C)CN2CCOCC2)[nH]c2ccccc12.
What is the InChIKey of 4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine?
The InChIKey is RVOSZCZEUVYAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14(12-22-7-9-24-10-8-22)23-13-20-11-18(23)19-15(2)16-5-3-4-6-17(16)21-19/h3-6,11,13-14,21H,7-10,12H2,1-2H3.
What are the key properties of 4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine?
4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine has a molecular weight of 324.43 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(3-methyl-1H-indol-2-yl)imidazol-1-yl]propyl]morpholine is sourced from PubChem (CID 46980320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).