4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine

C18H19N3O — CID 29185404

IUPAC4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine
SMILESc1ccc(-c2ccc3nc[nH]c3c2)c(CN2CCOCC2)c1
InChIInChI=1S/C18H19N3O/c1-2-4-16(14-5-6-17-18(11-14)20-13-19-17)15(3-1)12-21-7-9-22-10-8-21/h1-6,11,13H,7-10,12H2,(H,19,20)
InChIKeyWMCXQOPVOYBHHK-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.06
Rot. Bonds3

About 4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine

4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine (PubChem CID 29185404) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine
PubChem CID29185404
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine
SMILESc1ccc(-c2ccc3nc[nH]c3c2)c(CN2CCOCC2)c1
InChIInChI=1S/C18H19N3O/c1-2-4-16(14-5-6-17-18(11-14)20-13-19-17)15(3-1)12-21-7-9-22-10-8-21/h1-6,11,13H,7-10,12H2,(H,19,20)
InChIKeyWMCXQOPVOYBHHK-UHFFFAOYSA-N
XLogP3.06
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine (CID 29185404) is 4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine is c1ccc(-c2ccc3nc[nH]c3c2)c(CN2CCOCC2)c1.
What is the InChIKey of 4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine?
The InChIKey is WMCXQOPVOYBHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-4-16(14-5-6-17-18(11-14)20-13-19-17)15(3-1)12-21-7-9-22-10-8-21/h1-6,11,13H,7-10,12H2,(H,19,20).
What are the key properties of 4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine?
4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine has a molecular weight of 293.37 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3H-benzimidazol-5-yl)phenyl]methyl]morpholine is sourced from PubChem (CID 29185404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).