N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide

C26H33N5O — CID 109481703

IUPACN-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1cccc(Cn2ccnc2C)c1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C26H33N5O/c1-4-27-26(31-14-15-32-25(19-31)24-11-6-5-8-20(24)2)29-17-22-9-7-10-23(16-22)18-30-13-12-28-21(30)3/h5-13,16,25H,4,14-15,17-19H2,1-3H3,(H,27,29)
InChIKeyUQXARGWYAPTXDM-UHFFFAOYSA-N
MW431.58 g/mol
LogP4.09
Rot. Bonds6

About N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide

N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide (PubChem CID 109481703) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide.

Molecular Properties

Compound NameN-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
PubChem CID109481703
Molecular FormulaC26H33N5O
Molecular Weight431.58 g/mol
Exact Mass431.27
IUPAC NameN-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
SMILESCCN/C(=N\Cc1cccc(Cn2ccnc2C)c1)N1CCOC(c2ccccc2C)C1
InChIInChI=1S/C26H33N5O/c1-4-27-26(31-14-15-32-25(19-31)24-11-6-5-8-20(24)2)29-17-22-9-7-10-23(16-22)18-30-13-12-28-21(30)3/h5-13,16,25H,4,14-15,17-19H2,1-3H3,(H,27,29)
InChIKeyUQXARGWYAPTXDM-UHFFFAOYSA-N
XLogP4.09
TPSA54.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.58
LogP ≤ 54.09
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'}

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Related Compounds

3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide
CID 109481109
N'-[[2-(dimethylamino)-4-pyridinyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479444
N-[3-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]phenyl]acetamide;hydroiodide
CID 109481556
N-ethyl-N'-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109481185
N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-3-(1-methylpyrazol-4-yl)pyrrolidine-1-carboximidamide
CID 111741312
N-ethyl-N'-[(3-ethyl-1,2-oxazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109480432
4-[[[ethylamino-[2-(2-methylphenyl)morpholin-4-yl]methylidene]amino]methyl]benzamide
CID 109480328
N-ethyl-N'-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479662
N'-[[4-(dimethylsulfamoyl)phenyl]methyl]-N-ethyl-2-(2-methylphenyl)morpholine-4-carboximidamide
CID 109479443
N-ethyl-2-(2-methylphenyl)-N'-(thiophen-2-ylmethyl)morpholine-4-carboximidamide;hydroiodide
CID 109480595
N-ethyl-N'-[2-(3-hydroxyphenyl)ethyl]-2-(2-methylphenyl)morpholine-4-carboximidamide;hydroiodide
CID 109479510
N-ethyl-2-(2-methylphenyl)-N'-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 109480415

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The IUPAC name of N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide (CID 109481703) is N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide.
What is the SMILES notation for N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The canonical SMILES for N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide is CCN/C(=N\Cc1cccc(Cn2ccnc2C)c1)N1CCOC(c2ccccc2C)C1.
What is the InChIKey of N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
The InChIKey is UQXARGWYAPTXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-4-27-26(31-14-15-32-25(19-31)24-11-6-5-8-20(24)2)29-17-22-9-7-10-23(16-22)18-30-13-12-28-21(30)3/h5-13,16,25H,4,14-15,17-19H2,1-3H3,(H,27,29).
What are the key properties of N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide?
N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide has a molecular weight of 431.58 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N'-[[3-[(2-methylimidazol-1-yl)methyl]phenyl]methyl]-2-(2-methylphenyl)morpholine-4-carboximidamide is sourced from PubChem (CID 109481703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).