4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine

C20H24N6O — CID 154445366

IUPAC4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine
SMILESc1ccc2[nH]c(-c3cc(C4CCNCC4)nc(N4CCOCC4)n3)nc2c1
InChIInChI=1S/C20H24N6O/c1-2-4-16-15(3-1)22-19(23-16)18-13-17(14-5-7-21-8-6-14)24-20(25-18)26-9-11-27-12-10-26/h1-4,13-14,21H,5-12H2,(H,22,23)
InChIKeySXMOGOOCOMQEOK-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.32
Rot. Bonds3

About 4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine

4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine (PubChem CID 154445366) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine
PubChem CID154445366
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC Name4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine
SMILESc1ccc2[nH]c(-c3cc(C4CCNCC4)nc(N4CCOCC4)n3)nc2c1
InChIInChI=1S/C20H24N6O/c1-2-4-16-15(3-1)22-19(23-16)18-13-17(14-5-7-21-8-6-14)24-20(25-18)26-9-11-27-12-10-26/h1-4,13-14,21H,5-12H2,(H,22,23)
InChIKeySXMOGOOCOMQEOK-UHFFFAOYSA-N
XLogP2.32
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine (CID 154445366) is 4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine is c1ccc2[nH]c(-c3cc(C4CCNCC4)nc(N4CCOCC4)n3)nc2c1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine?
The InChIKey is SXMOGOOCOMQEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-2-4-16-15(3-1)22-19(23-16)18-13-17(14-5-7-21-8-6-14)24-20(25-18)26-9-11-27-12-10-26/h1-4,13-14,21H,5-12H2,(H,22,23).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine?
4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine has a molecular weight of 364.45 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)-6-piperidin-4-ylpyrimidin-2-yl]morpholine is sourced from PubChem (CID 154445366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).