1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone

C15H19N3O4 — CID 19256724

IUPAC1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone
SMILESCC(=O)c1nc2ccccc2n1C(=O)CN(CCO)CCO
InChIInChI=1S/C15H19N3O4/c1-11(21)15-16-12-4-2-3-5-13(12)18(15)14(22)10-17(6-8-19)7-9-20/h2-5,19-20H,6-10H2,1H3
InChIKeyFKZSGBRDGSKJHO-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.17
Rot. Bonds7

About 1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone

1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone (PubChem CID 19256724) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone
PubChem CID19256724
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone
SMILESCC(=O)c1nc2ccccc2n1C(=O)CN(CCO)CCO
InChIInChI=1S/C15H19N3O4/c1-11(21)15-16-12-4-2-3-5-13(12)18(15)14(22)10-17(6-8-19)7-9-20/h2-5,19-20H,6-10H2,1H3
InChIKeyFKZSGBRDGSKJHO-UHFFFAOYSA-N
XLogP0.17
TPSA95.66 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone?
The IUPAC name of 1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone (CID 19256724) is 1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone.
What is the SMILES notation for 1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone?
The canonical SMILES for 1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone is CC(=O)c1nc2ccccc2n1C(=O)CN(CCO)CCO.
What is the InChIKey of 1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone?
The InChIKey is FKZSGBRDGSKJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-11(21)15-16-12-4-2-3-5-13(12)18(15)14(22)10-17(6-8-19)7-9-20/h2-5,19-20H,6-10H2,1H3.
What are the key properties of 1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone?
1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone has a molecular weight of 305.33 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylbenzimidazol-1-yl)-2-[bis(2-hydroxyethyl)amino]ethanone is sourced from PubChem (CID 19256724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).