N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide

C14H18FN3O2 — CID 75520441

IUPACN-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1nc2cc(F)ccc2n1CC
InChIInChI=1S/C14H18FN3O2/c1-3-7-20-9-13(19)17-14-16-11-8-10(15)5-6-12(11)18(14)4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17,19)
InChIKeyCOWFPVGDNTYBHM-UHFFFAOYSA-N
MW279.31 g/mol
LogP2.56
Rot. Bonds6

About N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide

N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide (PubChem CID 75520441) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide.

Molecular Properties

Compound NameN-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide
PubChem CID75520441
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC NameN-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide
SMILESCCCOCC(=O)Nc1nc2cc(F)ccc2n1CC
InChIInChI=1S/C14H18FN3O2/c1-3-7-20-9-13(19)17-14-16-11-8-10(15)5-6-12(11)18(14)4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17,19)
InChIKeyCOWFPVGDNTYBHM-UHFFFAOYSA-N
XLogP2.56
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide 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 N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide?
The IUPAC name of N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide (CID 75520441) is N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide.
What is the SMILES notation for N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide?
The canonical SMILES for N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide is CCCOCC(=O)Nc1nc2cc(F)ccc2n1CC.
What is the InChIKey of N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide?
The InChIKey is COWFPVGDNTYBHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c1-3-7-20-9-13(19)17-14-16-11-8-10(15)5-6-12(11)18(14)4-2/h5-6,8H,3-4,7,9H2,1-2H3,(H,16,17,19).
What are the key properties of N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide?
N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide has a molecular weight of 279.31 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide is sourced from PubChem (CID 75520441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).