5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

C16H16FN3O — CID 81479731

IUPAC5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(C)c1F
InChIInChI=1S/C16H16FN3O/c1-9-4-3-5-11(14(9)17)15(18-2)10-6-7-12-13(8-10)20-16(21)19-12/h3-8,15,18H,1-2H3,(H2,19,20,21)
InChIKeyVFGNMHYHAYMHSH-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.61
Rot. Bonds3

About 5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 81479731) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID81479731
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(C)c1F
InChIInChI=1S/C16H16FN3O/c1-9-4-3-5-11(14(9)17)15(18-2)10-6-7-12-13(8-10)20-16(21)19-12/h3-8,15,18H,1-2H3,(H2,19,20,21)
InChIKeyVFGNMHYHAYMHSH-UHFFFAOYSA-N
XLogP2.61
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-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

5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483585
5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483588
5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483555
5-[(2-bromo-3-methylphenyl)-hydroxymethyl]-1,3-dihydrobenzimidazol-2-one
CID 107983320
5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 103400685
1-(2-fluoro-3-methylphenyl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81477388
1-(2,3-dimethylphenyl)-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 62548369
1-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)-N-methylmethanamine
CID 107128750
5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79096507
1-(2,4-difluoro-5-methylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 81477315
1-(2-chloro-4,5-dimethylphenyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 115483965
5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 43483534

Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 81479731) is 5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1ccc2[nH]c(=O)[nH]c2c1)c1cccc(C)c1F.
What is the InChIKey of 5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VFGNMHYHAYMHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-9-4-3-5-11(14(9)17)15(18-2)10-6-7-12-13(8-10)20-16(21)19-12/h3-8,15,18H,1-2H3,(H2,19,20,21).
What are the key properties of 5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 81479731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).