5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

C16H16FN3O — CID 43483587

IUPAC5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(Cc1ccccc1F)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16FN3O/c1-18-14(8-10-4-2-3-5-12(10)17)11-6-7-13-15(9-11)20-16(21)19-13/h2-7,9,14,18H,8H2,1H3,(H2,19,20,21)
InChIKeyGLQYPNYGYXAJRX-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.50
Rot. Bonds4

About 5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one

5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43483587) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43483587
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(Cc1ccccc1F)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16FN3O/c1-18-14(8-10-4-2-3-5-12(10)17)11-6-7-13-15(9-11)20-16(21)19-13/h2-7,9,14,18H,8H2,1H3,(H2,19,20,21)
InChIKeyGLQYPNYGYXAJRX-UHFFFAOYSA-N
XLogP2.50
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-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

1-(3,4-difluorophenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 43484603
2-(2-fluorophenyl)-1-(3-fluorophenyl)-N-methylethanamine
CID 54945904
1-(3-chloro-4-methylphenyl)-2-(2-fluorophenyl)-N-methylethanamine
CID 63195375
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483555
2-(2-fluorophenyl)-N-methyl-1-[3-(2-methylpropyl)phenyl]ethanamine
CID 116544108
5-[1-(ethylamino)-2-phenylethyl]-1,3-dihydrobenzimidazol-2-one
CID 43490689
5-[4-amino-3,3-dimethyl-1-(methylamino)butyl]-1,3-dihydrobenzimidazol-2-one
CID 116950122
2-(2-fluorophenyl)-N-methyl-1-(2,4,5-trifluorophenyl)ethanamine
CID 103302394
2-(2-fluorophenyl)-N-methyl-1-thiophen-3-ylethanamine
CID 60820385
1-(4-bromo-3-fluorophenyl)-2-(2-bromophenyl)-N-methylethanamine
CID 115786942
1-(3,4-dihydro-2H-chromen-6-yl)-2-(2-fluorophenyl)-N-methylethanamine
CID 61026966
6-[3-methyl-1-(methylamino)butyl]-1,4-dihydroquinoxaline-2,3-dione
CID 43483374

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one (CID 43483587) is 5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is CNC(Cc1ccccc1F)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GLQYPNYGYXAJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-18-14(8-10-4-2-3-5-12(10)17)11-6-7-13-15(9-11)20-16(21)19-13/h2-7,9,14,18H,8H2,1H3,(H2,19,20,21).
What are the key properties of 5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.50, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43483587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).