4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine

C21H21N5O — CID 78151185

IUPAC4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
SMILESc1cncc(-c2cnc(C3COCCN3Cc3c[nH]c4ccccc34)[nH]2)c1
InChIInChI=1S/C21H21N5O/c1-2-6-18-17(5-1)16(11-23-18)13-26-8-9-27-14-20(26)21-24-12-19(25-21)15-4-3-7-22-10-15/h1-7,10-12,20,23H,8-9,13-14H2,(H,24,25)
InChIKeyYIRNDEXJZNUTOI-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.53
Rot. Bonds4

About 4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine

4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine (PubChem CID 78151185) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
PubChem CID78151185
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
SMILESc1cncc(-c2cnc(C3COCCN3Cc3c[nH]c4ccccc34)[nH]2)c1
InChIInChI=1S/C21H21N5O/c1-2-6-18-17(5-1)16(11-23-18)13-26-8-9-27-14-20(26)21-24-12-19(25-21)15-4-3-7-22-10-15/h1-7,10-12,20,23H,8-9,13-14H2,(H,24,25)
InChIKeyYIRNDEXJZNUTOI-UHFFFAOYSA-N
XLogP3.53
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine?
The IUPAC name of 4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine (CID 78151185) is 4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine.
What is the SMILES notation for 4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine?
The canonical SMILES for 4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine is c1cncc(-c2cnc(C3COCCN3Cc3c[nH]c4ccccc34)[nH]2)c1.
What is the InChIKey of 4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine?
The InChIKey is YIRNDEXJZNUTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-2-6-18-17(5-1)16(11-23-18)13-26-8-9-27-14-20(26)21-24-12-19(25-21)15-4-3-7-22-10-15/h1-7,10-12,20,23H,8-9,13-14H2,(H,24,25).
What are the key properties of 4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine?
4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine has a molecular weight of 359.43 g/mol, XLogP of 3.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-ylmethyl)-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine is sourced from PubChem (CID 78151185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).