1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one

C16H21N3O2 — CID 19256735

IUPAC1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one
SMILESCCN(CC)C(C)C(=O)n1c(C(C)=O)nc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-5-18(6-2)11(3)16(21)19-14-10-8-7-9-13(14)17-15(19)12(4)20/h7-11H,5-6H2,1-4H3
InChIKeyHRRXOQUUJZXFLJ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.61
Rot. Bonds5

About 1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one

1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one (PubChem CID 19256735) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one.

Molecular Properties

Compound Name1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one
PubChem CID19256735
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one
SMILESCCN(CC)C(C)C(=O)n1c(C(C)=O)nc2ccccc21
InChIInChI=1S/C16H21N3O2/c1-5-18(6-2)11(3)16(21)19-14-10-8-7-9-13(14)17-15(19)12(4)20/h7-11H,5-6H2,1-4H3
InChIKeyHRRXOQUUJZXFLJ-UHFFFAOYSA-N
XLogP2.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one?
The IUPAC name of 1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one (CID 19256735) is 1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one.
What is the SMILES notation for 1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one?
The canonical SMILES for 1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one is CCN(CC)C(C)C(=O)n1c(C(C)=O)nc2ccccc21.
What is the InChIKey of 1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one?
The InChIKey is HRRXOQUUJZXFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-5-18(6-2)11(3)16(21)19-14-10-8-7-9-13(14)17-15(19)12(4)20/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one?
1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one has a molecular weight of 287.36 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-acetylbenzimidazol-1-yl)-2-(diethylamino)propan-1-one is sourced from PubChem (CID 19256735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).