4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

C18H21N7O2 — CID 10832781

IUPAC4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESc1ccc2c(c1)ncn2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N7O2/c1-2-4-15-14(3-1)19-13-25(15)18-21-16(23-5-9-26-10-6-23)20-17(22-18)24-7-11-27-12-8-24/h1-4,13H,5-12H2
InChIKeyLSOBSIWBWIZWFH-UHFFFAOYSA-N
MW367.41 g/mol
LogP0.88
Rot. Bonds3

About 4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine

4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (PubChem CID 10832781) has the molecular formula C18H21N7O2 and a molecular weight of 367.41 g/mol. Its IUPAC name is 4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
PubChem CID10832781
Molecular FormulaC18H21N7O2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
SMILESc1ccc2c(c1)ncn2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C18H21N7O2/c1-2-4-15-14(3-1)19-13-25(15)18-21-16(23-5-9-26-10-6-23)20-17(22-18)24-7-11-27-12-8-24/h1-4,13H,5-12H2
InChIKeyLSOBSIWBWIZWFH-UHFFFAOYSA-N
XLogP0.88
TPSA81.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The IUPAC name of 4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine (CID 10832781) is 4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The canonical SMILES for 4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is c1ccc2c(c1)ncn2-c1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
The InChIKey is LSOBSIWBWIZWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O2/c1-2-4-15-14(3-1)19-13-25(15)18-21-16(23-5-9-26-10-6-23)20-17(22-18)24-7-11-27-12-8-24/h1-4,13H,5-12H2.
What are the key properties of 4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine?
4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine has a molecular weight of 367.41 g/mol, XLogP of 0.88, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine is sourced from PubChem (CID 10832781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).