3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one

C25H32FN3O2 — CID 21273432

IUPAC3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one
SMILESCC(C)C1c2ccc(F)cc2CCC1(O)CCN(C)CCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C25H32FN3O2/c1-17(2)23-20-9-8-19(26)16-18(20)10-11-25(23,31)12-13-28(3)14-15-29-22-7-5-4-6-21(22)27-24(29)30/h4-9,16-17,23,31H,10-15H2,1-3H3,(H,27,30)
InChIKeyUPBMYNRYQXCOKK-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.91
Rot. Bonds7

About 3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one

3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one (PubChem CID 21273432) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is 3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one
PubChem CID21273432
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one
SMILESCC(C)C1c2ccc(F)cc2CCC1(O)CCN(C)CCn1c(=O)[nH]c2ccccc21
InChIInChI=1S/C25H32FN3O2/c1-17(2)23-20-9-8-19(26)16-18(20)10-11-25(23,31)12-13-28(3)14-15-29-22-7-5-4-6-21(22)27-24(29)30/h4-9,16-17,23,31H,10-15H2,1-3H3,(H,27,30)
InChIKeyUPBMYNRYQXCOKK-UHFFFAOYSA-N
XLogP3.91
TPSA61.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-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

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one (CID 21273432) is 3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one is CC(C)C1c2ccc(F)cc2CCC1(O)CCN(C)CCn1c(=O)[nH]c2ccccc21.
What is the InChIKey of 3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one?
The InChIKey is UPBMYNRYQXCOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-17(2)23-20-9-8-19(26)16-18(20)10-11-25(23,31)12-13-28(3)14-15-29-22-7-5-4-6-21(22)27-24(29)30/h4-9,16-17,23,31H,10-15H2,1-3H3,(H,27,30).
What are the key properties of 3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one?
3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one has a molecular weight of 425.55 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(6-fluoro-2-hydroxy-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl)ethyl-methylamino]ethyl]-1H-benzimidazol-2-one is sourced from PubChem (CID 21273432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).