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

C16H16FN3O — CID 115994190

IUPAC5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCCC(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1F
InChIInChI=1S/C16H16FN3O/c1-2-13(11-5-3-4-6-12(11)17)18-10-7-8-14-15(9-10)20-16(21)19-14/h3-9,13,18H,2H2,1H3,(H2,19,20,21)
InChIKeyDPBDXYOKJCULJB-UHFFFAOYSA-N
MW285.32 g/mol
LogP3.56
Rot. Bonds4

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

5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115994190) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one
PubChem CID115994190
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one
SMILESCCC(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1F
InChIInChI=1S/C16H16FN3O/c1-2-13(11-5-3-4-6-12(11)17)18-10-7-8-14-15(9-10)20-16(21)19-14/h3-9,13,18H,2H2,1H3,(H2,19,20,21)
InChIKeyDPBDXYOKJCULJB-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[1-(2-fluorophenyl)propyl]-3-methoxyaniline
CID 107621034
2-chloro-5-[1-(2-fluorophenyl)propylamino]benzonitrile
CID 115994254
(2S)-N-(4-fluorophenyl)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanamide
CID 37309732
5-(2-methylbutylamino)-1,3-dihydrobenzimidazol-2-one
CID 43201929
2-fluoro-N-[1-(2-fluorophenyl)propyl]aniline
CID 112676866
5-[(2-fluorophenyl)methylamino]-1,3-dihydrobenzimidazol-2-one;hydrochloride
CID 17060042
2-fluoro-4-[1-(2-hydroxyphenyl)propylamino]phenol
CID 64793529
methyl (2S)-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]butanoate
CID 99636827
N-[1-(2-fluorophenyl)propyl]pentan-3-amine
CID 112631369
N-fluoro-1-(2-fluorophenyl)propan-1-amine
CID 175319126
2-[3-[1-(2-fluorophenyl)propylamino]phenoxy]acetonitrile
CID 115994291
2-fluoro-N-[1-(2-fluorophenyl)propyl]-5-methylaniline
CID 112676903

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one (CID 115994190) is 5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one is CCC(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1F.
What is the InChIKey of 5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is DPBDXYOKJCULJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-2-13(11-5-3-4-6-12(11)17)18-10-7-8-14-15(9-10)20-16(21)19-14/h3-9,13,18H,2H2,1H3,(H2,19,20,21).
What are the key properties of 5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one?
5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 285.32 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)propylamino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115994190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).