3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one

C22H23F2N3O — CID 123302592

IUPAC3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one
SMILESNC(CC(=O)N1CCN=C1Cc1ccccc1)C1CCc2cc(F)c(F)cc21
InChIInChI=1S/C22H23F2N3O/c23-18-11-15-6-7-16(17(15)12-19(18)24)20(25)13-22(28)27-9-8-26-21(27)10-14-4-2-1-3-5-14/h1-5,11-12,16,20H,6-10,13,25H2
InChIKeyKLPXZHZAKHQDEF-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.20
Rot. Bonds5

About 3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one

3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one (PubChem CID 123302592) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is 3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one.

Molecular Properties

Compound Name3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one
PubChem CID123302592
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one
SMILESNC(CC(=O)N1CCN=C1Cc1ccccc1)C1CCc2cc(F)c(F)cc21
InChIInChI=1S/C22H23F2N3O/c23-18-11-15-6-7-16(17(15)12-19(18)24)20(25)13-22(28)27-9-8-26-21(27)10-14-4-2-1-3-5-14/h1-5,11-12,16,20H,6-10,13,25H2
InChIKeyKLPXZHZAKHQDEF-UHFFFAOYSA-N
XLogP3.20
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one?
The IUPAC name of 3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one (CID 123302592) is 3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one.
What is the SMILES notation for 3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one?
The canonical SMILES for 3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one is NC(CC(=O)N1CCN=C1Cc1ccccc1)C1CCc2cc(F)c(F)cc21.
What is the InChIKey of 3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one?
The InChIKey is KLPXZHZAKHQDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O/c23-18-11-15-6-7-16(17(15)12-19(18)24)20(25)13-22(28)27-9-8-26-21(27)10-14-4-2-1-3-5-14/h1-5,11-12,16,20H,6-10,13,25H2.
What are the key properties of 3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one?
3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one has a molecular weight of 383.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2-benzyl-4,5-dihydroimidazol-1-yl)-3-(5,6-difluoro-2,3-dihydro-1H-inden-1-yl)propan-1-one is sourced from PubChem (CID 123302592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).