N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

C18H24F2IN5O — CID 109479477

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1nccn1C(F)F)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C18H23F2N5O.HI/c1-13-5-3-4-6-14(13)15-12-24(9-10-26-15)18(21-2)23-11-16-22-7-8-25(16)17(19)20;/h3-8,15,17H,9-12H2,1-2H3,(H,21,23);1H
InChIKeyVOOHBHYKVFRCQK-UHFFFAOYSA-N
MW491.32 g/mol
LogP3.35
Rot. Bonds4

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (PubChem CID 109479477) has the molecular formula C18H24F2IN5O and a molecular weight of 491.32 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
PubChem CID109479477
Molecular FormulaC18H24F2IN5O
Molecular Weight491.32 g/mol
Exact Mass491.10
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
SMILESC/N=C(\NCc1nccn1C(F)F)N1CCOC(c2ccccc2C)C1.I
InChIInChI=1S/C18H23F2N5O.HI/c1-13-5-3-4-6-14(13)15-12-24(9-10-26-15)18(21-2)23-11-16-22-7-8-25(16)17(19)20;/h3-8,15,17H,9-12H2,1-2H3,(H,21,23);1H
InChIKeyVOOHBHYKVFRCQK-UHFFFAOYSA-N
XLogP3.35
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.32
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-methyl-2-(2-methylphenyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)morpholine-4-carboximidamide
CID 109480955
N-[2-(1-benzylimidazol-2-yl)ethyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481307
N'-methyl-N-(3-methylbutyl)-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479895
N'-methyl-2-(2-methylphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109481644
N-[(6-chloro-3-pyridinyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109480032
N-[(2-ethoxy-3-pyridinyl)methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109481438
N'-methyl-2-(2-methylphenyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]morpholine-4-carboximidamide;hydroiodide
CID 109481075
N'-methyl-2-(2-methylphenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine-4-carboximidamide
CID 109481243
N'-methyl-2-(2-methylphenyl)-N-prop-2-ynylmorpholine-4-carboximidamide;hydroiodide
CID 109479908
N-(3-fluoropropyl)-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481667
N'-methyl-2-(2-methylphenyl)-N-(3-pyrazol-1-ylpropyl)morpholine-4-carboximidamide;hydroiodide
CID 109480998
N'-methyl-2-(2-methylphenyl)-N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide
CID 109480828

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide (CID 109479477) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is C/N=C(\NCc1nccn1C(F)F)N1CCOC(c2ccccc2C)C1.I.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
The InChIKey is VOOHBHYKVFRCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O.HI/c1-13-5-3-4-6-14(13)15-12-24(9-10-26-15)18(21-2)23-11-16-22-7-8-25(16)17(19)20;/h3-8,15,17H,9-12H2,1-2H3,(H,21,23);1H.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide has a molecular weight of 491.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N'-methyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide is sourced from PubChem (CID 109479477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).