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

C15H16N4O — CID 116881037

IUPAC2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine
SMILESc1ccc2c(-c3cnc(C4CNCCO4)[nH]3)c[nH]c2c1
InChIInChI=1S/C15H16N4O/c1-2-4-12-10(3-1)11(7-17-12)13-8-18-15(19-13)14-9-16-5-6-20-14/h1-4,7-8,14,16-17H,5-6,9H2,(H,18,19)
InChIKeyPUKMTIZNVNJQAP-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.22
Rot. Bonds2

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

2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine (PubChem CID 116881037) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine
PubChem CID116881037
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine
SMILESc1ccc2c(-c3cnc(C4CNCCO4)[nH]3)c[nH]c2c1
InChIInChI=1S/C15H16N4O/c1-2-4-12-10(3-1)11(7-17-12)13-8-18-15(19-13)14-9-16-5-6-20-14/h1-4,7-8,14,16-17H,5-6,9H2,(H,18,19)
InChIKeyPUKMTIZNVNJQAP-UHFFFAOYSA-N
XLogP2.22
TPSA65.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine?
The IUPAC name of 2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine (CID 116881037) is 2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for 2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine?
The canonical SMILES for 2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine is c1ccc2c(-c3cnc(C4CNCCO4)[nH]3)c[nH]c2c1.
What is the InChIKey of 2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine?
The InChIKey is PUKMTIZNVNJQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-2-4-12-10(3-1)11(7-17-12)13-8-18-15(19-13)14-9-16-5-6-20-14/h1-4,7-8,14,16-17H,5-6,9H2,(H,18,19).
What are the key properties of 2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine?
2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine has a molecular weight of 268.32 g/mol, XLogP of 2.22, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 116881037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).