4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine

C21H30N4O — CID 46980346

IUPAC4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine
SMILESCCC(CN1CCOCC1)n1cncc1-c1ccc2c(c1)CCN2CC
InChIInChI=1S/C21H30N4O/c1-3-19(15-23-9-11-26-12-10-23)25-16-22-14-21(25)17-5-6-20-18(13-17)7-8-24(20)4-2/h5-6,13-14,16,19H,3-4,7-12,15H2,1-2H3
InChIKeyGYKSBAMJKBDTLL-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.22
Rot. Bonds6

About 4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine

4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine (PubChem CID 46980346) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine.

Molecular Properties

Compound Name4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine
PubChem CID46980346
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine
SMILESCCC(CN1CCOCC1)n1cncc1-c1ccc2c(c1)CCN2CC
InChIInChI=1S/C21H30N4O/c1-3-19(15-23-9-11-26-12-10-23)25-16-22-14-21(25)17-5-6-20-18(13-17)7-8-24(20)4-2/h5-6,13-14,16,19H,3-4,7-12,15H2,1-2H3
InChIKeyGYKSBAMJKBDTLL-UHFFFAOYSA-N
XLogP3.22
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine?
The IUPAC name of 4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine (CID 46980346) is 4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine.
What is the SMILES notation for 4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine?
The canonical SMILES for 4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine is CCC(CN1CCOCC1)n1cncc1-c1ccc2c(c1)CCN2CC.
What is the InChIKey of 4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine?
The InChIKey is GYKSBAMJKBDTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-3-19(15-23-9-11-26-12-10-23)25-16-22-14-21(25)17-5-6-20-18(13-17)7-8-24(20)4-2/h5-6,13-14,16,19H,3-4,7-12,15H2,1-2H3.
What are the key properties of 4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine?
4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine has a molecular weight of 354.50 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(1-ethyl-2,3-dihydroindol-5-yl)imidazol-1-yl]butyl]morpholine is sourced from PubChem (CID 46980346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).