N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide

C20H21N3O2 — CID 751314

IUPACN-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nc2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-2-20(25)21-13-12-19-22-16-10-6-7-11-17(16)23(19)14-18(24)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,25)
InChIKeyMIIXOTBBVVKIDZ-UHFFFAOYSA-N
MW335.41 g/mol
LogP2.99
Rot. Bonds7

About N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide

N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide (PubChem CID 751314) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound NameN-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide
PubChem CID751314
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide
SMILESCCC(=O)NCCc1nc2ccccc2n1CC(=O)c1ccccc1
InChIInChI=1S/C20H21N3O2/c1-2-20(25)21-13-12-19-22-16-10-6-7-11-17(16)23(19)14-18(24)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,25)
InChIKeyMIIXOTBBVVKIDZ-UHFFFAOYSA-N
XLogP2.99
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide?
The IUPAC name of N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide (CID 751314) is N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide.
What is the SMILES notation for N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide?
The canonical SMILES for N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide is CCC(=O)NCCc1nc2ccccc2n1CC(=O)c1ccccc1.
What is the InChIKey of N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide?
The InChIKey is MIIXOTBBVVKIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-2-20(25)21-13-12-19-22-16-10-6-7-11-17(16)23(19)14-18(24)15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,21,25).
What are the key properties of N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide?
N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide has a molecular weight of 335.41 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-phenacylbenzimidazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 751314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).