3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one

C17H25N3O2 — CID 67559893

IUPAC3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)c1ccc2c(c1)[nH]c(=O)n2CCCN1CCOCC1
InChIInChI=1S/C17H25N3O2/c1-13(2)14-4-5-16-15(12-14)18-17(21)20(16)7-3-6-19-8-10-22-11-9-19/h4-5,12-13H,3,6-11H2,1-2H3,(H,18,21)
InChIKeyCYGPFDFWNFEMAB-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.18
Rot. Bonds5

About 3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one

3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 67559893) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one
PubChem CID67559893
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)c1ccc2c(c1)[nH]c(=O)n2CCCN1CCOCC1
InChIInChI=1S/C17H25N3O2/c1-13(2)14-4-5-16-15(12-14)18-17(21)20(16)7-3-6-19-8-10-22-11-9-19/h4-5,12-13H,3,6-11H2,1-2H3,(H,18,21)
InChIKeyCYGPFDFWNFEMAB-UHFFFAOYSA-N
XLogP2.18
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one (CID 67559893) is 3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one is CC(C)c1ccc2c(c1)[nH]c(=O)n2CCCN1CCOCC1.
What is the InChIKey of 3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is CYGPFDFWNFEMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-13(2)14-4-5-16-15(12-14)18-17(21)20(16)7-3-6-19-8-10-22-11-9-19/h4-5,12-13H,3,6-11H2,1-2H3,(H,18,21).
What are the key properties of 3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one?
3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 303.41 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 67559893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).