N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide

C22H24FN5O — CID 142073733

IUPACN'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cnc(/N=C(\N)N2CCOCC2)[nH]1
InChIInChI=1S/C22H24FN5O/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-25-22(26-20)27-21(24)28-9-11-29-12-10-28/h2-8,13-15H,9-12H2,1H3,(H3,24,25,26,27)
InChIKeyWXVGMVJCYHLKGZ-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.65
Rot. Bonds4

About N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide

N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide (PubChem CID 142073733) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide
PubChem CID142073733
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC NameN'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide
SMILESCC(c1ccc(-c2ccccc2)c(F)c1)c1cnc(/N=C(\N)N2CCOCC2)[nH]1
InChIInChI=1S/C22H24FN5O/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-25-22(26-20)27-21(24)28-9-11-29-12-10-28/h2-8,13-15H,9-12H2,1H3,(H3,24,25,26,27)
InChIKeyWXVGMVJCYHLKGZ-UHFFFAOYSA-N
XLogP3.65
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide?
The IUPAC name of N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide (CID 142073733) is N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide is CC(c1ccc(-c2ccccc2)c(F)c1)c1cnc(/N=C(\N)N2CCOCC2)[nH]1.
What is the InChIKey of N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide?
The InChIKey is WXVGMVJCYHLKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-15(17-7-8-18(19(23)13-17)16-5-3-2-4-6-16)20-14-25-22(26-20)27-21(24)28-9-11-29-12-10-28/h2-8,13-15H,9-12H2,1H3,(H3,24,25,26,27).
What are the key properties of N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide?
N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide has a molecular weight of 393.47 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-[1-(3-fluoro-4-phenylphenyl)ethyl]-1H-imidazol-2-yl]morpholine-4-carboximidamide is sourced from PubChem (CID 142073733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).