ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one

C17H20FN3O — CID 142873660

IUPACethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one
SMILESCC.CCn1c(=O)[nH]c2cc(Nc3cccc(F)c3)ccc21
InChIInChI=1S/C15H14FN3O.C2H6/c1-2-19-14-7-6-12(9-13(14)18-15(19)20)17-11-5-3-4-10(16)8-11;1-2/h3-9,17H,2H2,1H3,(H,18,20);1-2H3
InChIKeyAAFIKCMLEWMMDZ-UHFFFAOYSA-N
MW301.37 g/mol
LogP4.26
Rot. Bonds3

About ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one

ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one (PubChem CID 142873660) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one.

Molecular Properties

Compound Nameethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one
PubChem CID142873660
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Nameethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one
SMILESCC.CCn1c(=O)[nH]c2cc(Nc3cccc(F)c3)ccc21
InChIInChI=1S/C15H14FN3O.C2H6/c1-2-19-14-7-6-12(9-13(14)18-15(19)20)17-11-5-3-4-10(16)8-11;1-2/h3-9,17H,2H2,1H3,(H,18,20);1-2H3
InChIKeyAAFIKCMLEWMMDZ-UHFFFAOYSA-N
XLogP4.26
TPSA49.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-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

6-chloro-3-ethyl-1H-benzimidazol-2-one
CID 19437881
3-fluoro-N-(4-fluorophenyl)aniline
CID 54316192
6-(aminomethyl)-3-ethyl-1H-benzimidazol-2-one
CID 65038062
6-anilino-3-butyl-1H-benzimidazol-2-one;3-methyl-N-[(Z)-prop-1-enyl]but-3-en-1-amine
CID 142873687
6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117207476
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113195462
diethyl 2-(4-chloroanilino)-3-[(1-ethyl-2-oxo-3H-benzimidazol-5-yl)amino]but-2-enedioate
CID 59017623
1-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]phenyl]-3-(1-ethyl-2-oxo-3H-benzimidazol-5-yl)urea
CID 10478583
3-ethyl-6-fluoro-1H-benzimidazole-2-thione
CID 43660035
N-(2-ethylphenyl)-2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195424
2-(5-fluoro-2-oxo-3H-benzimidazol-1-yl)-N-(4-methoxyphenyl)acetamide
CID 113195452
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one?
The IUPAC name of ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one (CID 142873660) is ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one.
What is the SMILES notation for ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one?
The canonical SMILES for ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one is CC.CCn1c(=O)[nH]c2cc(Nc3cccc(F)c3)ccc21.
What is the InChIKey of ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one?
The InChIKey is AAFIKCMLEWMMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O.C2H6/c1-2-19-14-7-6-12(9-13(14)18-15(19)20)17-11-5-3-4-10(16)8-11;1-2/h3-9,17H,2H2,1H3,(H,18,20);1-2H3.
What are the key properties of ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one?
ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one has a molecular weight of 301.37 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethyl-6-(3-fluoroanilino)-1H-benzimidazol-2-one is sourced from PubChem (CID 142873660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).