1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone

C13H19N3O2 — CID 115944330

IUPAC1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
SMILESO=C(Cn1cnc2c1CCCC2)N1CCOCC1
InChIInChI=1S/C13H19N3O2/c17-13(15-5-7-18-8-6-15)9-16-10-14-11-3-1-2-4-12(11)16/h10H,1-9H2
InChIKeyXXGJAEYBSOQRPC-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.62
Rot. Bonds2

About 1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone

1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone (PubChem CID 115944330) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
PubChem CID115944330
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
SMILESO=C(Cn1cnc2c1CCCC2)N1CCOCC1
InChIInChI=1S/C13H19N3O2/c17-13(15-5-7-18-8-6-15)9-16-10-14-11-3-1-2-4-12(11)16/h10H,1-9H2
InChIKeyXXGJAEYBSOQRPC-UHFFFAOYSA-N
XLogP0.62
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone
CID 115944318
2-(4,5-dimethylimidazol-1-yl)-1-morpholin-4-ylethanone
CID 115616713
1-(2-morpholin-4-yl-2-oxoethyl)imidazole-4,5-dicarbonitrile
CID 112595685
N-carbamoyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 116626262
2-(2-aminoimidazol-1-yl)-1-morpholin-4-ylethanone
CID 165481917
1-morpholin-4-yl-2-[3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]ethanone
CID 1223613
3-(2-morpholin-4-yl-2-oxoethyl)thieno[3,2-d]pyrimidin-4-one
CID 51280170
6-(4-chlorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 30935738
2-(3,5-dichloro-1,2,4-triazol-1-yl)-1-morpholin-4-ylethanone
CID 648485
2-(1-aminocyclobutyl)-1-morpholin-4-ylethanone
CID 79851869
6-cyclopropyl-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 122160609
N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 115944319

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone?
The IUPAC name of 1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone (CID 115944330) is 1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone is O=C(Cn1cnc2c1CCCC2)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone?
The InChIKey is XXGJAEYBSOQRPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c17-13(15-5-7-18-8-6-15)9-16-10-14-11-3-1-2-4-12(11)16/h10H,1-9H2.
What are the key properties of 1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone?
1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone has a molecular weight of 249.31 g/mol, XLogP of 0.62, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)ethanone is sourced from PubChem (CID 115944330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).