5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one

C14H19F2N3O2 — CID 103207310

IUPAC5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(CCOCC(F)F)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H19F2N3O2/c1-2-17-10(5-6-21-8-13(15)16)9-3-4-11-12(7-9)19-14(20)18-11/h3-4,7,10,13,17H,2,5-6,8H2,1H3,(H2,18,19,20)
InChIKeyYCQNXYMMCRRXDY-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.18
Rot. Bonds8

About 5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one

5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 103207310) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is 5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID103207310
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one
SMILESCCNC(CCOCC(F)F)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C14H19F2N3O2/c1-2-17-10(5-6-21-8-13(15)16)9-3-4-11-12(7-9)19-14(20)18-11/h3-4,7,10,13,17H,2,5-6,8H2,1H3,(H2,18,19,20)
InChIKeyYCQNXYMMCRRXDY-UHFFFAOYSA-N
XLogP2.18
TPSA69.91 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(2,2-difluoroethoxy)-N-ethyl-1-(4-propan-2-ylphenyl)propan-1-amine
CID 103149707
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-ethylphenyl)propan-1-amine
CID 103149543
5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one
CID 43490689
5-[1-(propylamino)pentyl]-1,3-dihydrobenzimidazol-2-one
CID 43496018
6-[1-(ethylamino)-3,3,3-trifluoropropyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43490510
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,4,6-trifluorophenyl)propan-1-amine
CID 103207306
5-[cyclopropyl(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490672
3-(2,2-difluoroethoxy)-N-ethyl-1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 103149759
3-(2,2-difluoroethoxy)-N-ethyl-1-(2,3,4-trifluorophenyl)propan-1-amine
CID 103149624
6-[1-(propylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43495871
3-(2,2-difluoroethoxy)-1-(2,5-dimethylfuran-3-yl)-N-ethylpropan-1-amine
CID 103207491
5-[1-amino-3-(2,2-difluoroethoxy)propyl]-6-bromo-1,3-dihydrobenzimidazol-2-one
CID 103207561

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one (CID 103207310) is 5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one is CCNC(CCOCC(F)F)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YCQNXYMMCRRXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-2-17-10(5-6-21-8-13(15)16)9-3-4-11-12(7-9)19-14(20)18-11/h3-4,7,10,13,17H,2,5-6,8H2,1H3,(H2,18,19,20).
What are the key properties of 5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one?
5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 299.32 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,2-difluoroethoxy)-1-(ethylamino)propyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 103207310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).