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

C16H16FN3O — CID 43201343

IUPAC5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCc1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16FN3O/c1-10(18-9-11-2-5-13(17)6-3-11)12-4-7-14-15(8-12)20-16(21)19-14/h2-8,10,18H,9H2,1H3,(H2,19,20,21)
InChIKeyMNUKUDDURBLEPI-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.85
Rot. Bonds4

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

5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43201343) has the molecular formula C16H16FN3O and a molecular weight of 285.32 g/mol. Its IUPAC name is 5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43201343
Molecular FormulaC16H16FN3O
Molecular Weight285.32 g/mol
Exact Mass285.13
IUPAC Name5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
SMILESCC(NCc1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C16H16FN3O/c1-10(18-9-11-2-5-13(17)6-3-11)12-4-7-14-15(8-12)20-16(21)19-14/h2-8,10,18H,9H2,1H3,(H2,19,20,21)
InChIKeyMNUKUDDURBLEPI-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one (CID 43201343) is 5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is CC(NCc1ccc(F)cc1)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is MNUKUDDURBLEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O/c1-10(18-9-11-2-5-13(17)6-3-11)12-4-7-14-15(8-12)20-16(21)19-14/h2-8,10,18H,9H2,1H3,(H2,19,20,21).
What are the key properties of 5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one?
5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 285.32 g/mol, XLogP of 2.85, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(4-fluorophenyl)methylamino]ethyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43201343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).