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

C15H21N3O2 — CID 67560491

IUPAC6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2CCCN1CCOCC1
InChIInChI=1S/C15H21N3O2/c1-12-3-4-14-13(11-12)16-15(19)18(14)6-2-5-17-7-9-20-10-8-17/h3-4,11H,2,5-10H2,1H3,(H,16,19)
InChIKeyYJJUNWMUXZCEQV-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.36
Rot. Bonds4

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

6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one (PubChem CID 67560491) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one
PubChem CID67560491
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one
SMILESCc1ccc2c(c1)[nH]c(=O)n2CCCN1CCOCC1
InChIInChI=1S/C15H21N3O2/c1-12-3-4-14-13(11-12)16-15(19)18(14)6-2-5-17-7-9-20-10-8-17/h3-4,11H,2,5-10H2,1H3,(H,16,19)
InChIKeyYJJUNWMUXZCEQV-UHFFFAOYSA-N
XLogP1.36
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one?
The IUPAC name of 6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one (CID 67560491) is 6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one?
The canonical SMILES for 6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one is Cc1ccc2c(c1)[nH]c(=O)n2CCCN1CCOCC1.
What is the InChIKey of 6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one?
The InChIKey is YJJUNWMUXZCEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-12-3-4-14-13(11-12)16-15(19)18(14)6-2-5-17-7-9-20-10-8-17/h3-4,11H,2,5-10H2,1H3,(H,16,19).
What are the key properties of 6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one?
6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one has a molecular weight of 275.35 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 67560491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).