[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine

C22H23F2N3O — CID 90459402

IUPAC[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine
SMILESNC(c1nc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C1CCOCC1
InChIInChI=1S/C22H23F2N3O/c23-17-6-7-19(24)18(12-17)20-14-27(13-15-4-2-1-3-5-15)22(26-20)21(25)16-8-10-28-11-9-16/h1-7,12,14,16,21H,8-11,13,25H2
InChIKeyKOPPUDINEQPOIR-UHFFFAOYSA-N
MW383.44 g/mol
LogP4.30
Rot. Bonds5

About [1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine

[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine (PubChem CID 90459402) has the molecular formula C22H23F2N3O and a molecular weight of 383.44 g/mol. Its IUPAC name is [1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine
PubChem CID90459402
Molecular FormulaC22H23F2N3O
Molecular Weight383.44 g/mol
Exact Mass383.18
IUPAC Name[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine
SMILESNC(c1nc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C1CCOCC1
InChIInChI=1S/C22H23F2N3O/c23-17-6-7-19(24)18(12-17)20-14-27(13-15-4-2-1-3-5-15)22(26-20)21(25)16-8-10-28-11-9-16/h1-7,12,14,16,21H,8-11,13,25H2
InChIKeyKOPPUDINEQPOIR-UHFFFAOYSA-N
XLogP4.30
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine?
The IUPAC name of [1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine (CID 90459402) is [1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine.
What is the SMILES notation for [1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine?
The canonical SMILES for [1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine is NC(c1nc(-c2cc(F)ccc2F)cn1Cc1ccccc1)C1CCOCC1.
What is the InChIKey of [1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine?
The InChIKey is KOPPUDINEQPOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O/c23-17-6-7-19(24)18(12-17)20-14-27(13-15-4-2-1-3-5-15)22(26-20)21(25)16-8-10-28-11-9-16/h1-7,12,14,16,21H,8-11,13,25H2.
What are the key properties of [1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine?
[1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine has a molecular weight of 383.44 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-benzyl-4-(2,5-difluorophenyl)imidazol-2-yl]-(oxan-4-yl)methanamine is sourced from PubChem (CID 90459402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).