3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one

C13H17N3O2 — CID 807407

IUPAC3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C13H17N3O2/c17-13-14-11-3-1-2-4-12(11)16(13)6-5-15-7-9-18-10-8-15/h1-4H,5-10H2,(H,14,17)
InChIKeyRMEAFCJCLSMPTA-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.66
Rot. Bonds3

About 3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one

3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one (PubChem CID 807407) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
PubChem CID807407
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1CCN1CCOCC1
InChIInChI=1S/C13H17N3O2/c17-13-14-11-3-1-2-4-12(11)16(13)6-5-15-7-9-18-10-8-15/h1-4H,5-10H2,(H,14,17)
InChIKeyRMEAFCJCLSMPTA-UHFFFAOYSA-N
XLogP0.66
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-morpholin-4-ylethyl)-2-oxo-3H-benzimidazole-4-carboxylic acid
CID 115541257
6-methyl-3-(3-morpholin-4-ylpropyl)-1H-benzimidazol-2-one
CID 67560491
3-[2-(4-benzhydryloxypiperidin-1-yl)ethyl]-1H-benzimidazol-2-one
CID 13105612
3-[5-(4-pyrimidin-2-ylpiperazin-1-yl)pentyl]-1H-benzimidazol-2-one
CID 165127975
3-[2-[4-(2-hydroxy-3-methylphenyl)piperazin-1-yl]ethyl]-1H-benzimidazol-2-one
CID 58882201
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
3-(3-morpholin-4-ylpropyl)-6-propan-2-yl-1H-benzimidazol-2-one
CID 67559893
3-[3-(4-benzylpiperidin-1-yl)propyl]-1H-benzimidazol-2-one
CID 10427916
1-(2-chloroethyl)-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 18630863
3-[4-[4-(2-chlorophenyl)piperazin-1-yl]butyl]-1H-benzimidazol-2-one
CID 23369424
3-(4-aminobutyl)-1H-benzimidazol-2-one
CID 66831527
3-(3-aminopropyl)-1H-benzimidazol-2-one;hydrochloride
CID 52983660

Frequently Asked Questions

What is the IUPAC name of 3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one (CID 807407) is 3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1CCN1CCOCC1.
What is the InChIKey of 3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one?
The InChIKey is RMEAFCJCLSMPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-13-14-11-3-1-2-4-12(11)16(13)6-5-15-7-9-18-10-8-15/h1-4H,5-10H2,(H,14,17).
What are the key properties of 3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one?
3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one has a molecular weight of 247.30 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-morpholin-4-ylethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 807407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).