5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

C15H14FN3O — CID 43483585

IUPAC5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14FN3O/c1-17-14(9-2-5-11(16)6-3-9)10-4-7-12-13(8-10)19-15(20)18-12/h2-8,14,17H,1H3,(H2,18,19,20)
InChIKeyYIIFJLOAELHXEJ-UHFFFAOYSA-N
MW271.30 g/mol
LogP2.30
Rot. Bonds3

About 5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one

5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43483585) has the molecular formula C15H14FN3O and a molecular weight of 271.30 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43483585
Molecular FormulaC15H14FN3O
Molecular Weight271.30 g/mol
Exact Mass271.11
IUPAC Name5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C15H14FN3O/c1-17-14(9-2-5-11(16)6-3-9)10-4-7-12-13(8-10)19-15(20)18-12/h2-8,14,17H,1H3,(H2,18,19,20)
InChIKeyYIIFJLOAELHXEJ-UHFFFAOYSA-N
XLogP2.30
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.30
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3,4-difluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483555
5-[(2-fluoro-3-methylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 81479731
1,1-bis(4-fluorophenyl)-N-methylmethanamine
CID 22660961
5-[1-(4-fluoroanilino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43201319
5-[(2,4-dimethylphenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483588
5-[(5-ethylfuran-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79096507
5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 43483534
5-[(3-ethylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 79985054
5-[(3-chloro-4-methylthiophen-2-yl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 103400685
1-(4-fluoro-3-methylphenyl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 55027117
5-[2-(2-fluorophenyl)-1-(methylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 43483587
5-[amino-(3,5-difluorophenyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43186862

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43483585) is 5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YIIFJLOAELHXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O/c1-17-14(9-2-5-11(16)6-3-9)10-4-7-12-13(8-10)19-15(20)18-12/h2-8,14,17H,1H3,(H2,18,19,20).
What are the key properties of 5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 271.30 g/mol, XLogP of 2.30, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)-(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43483585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).