N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide

C15H20ClN5O — CID 120662146

IUPACN'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/Cc2nc3cccc(Cl)c3n2C)CCO1
InChIInChI=1S/C15H20ClN5O/c1-10-9-21(6-7-22-10)15(17)18-8-13-19-12-5-3-4-11(16)14(12)20(13)2/h3-5,10H,6-9H2,1-2H3,(H2,17,18)
InChIKeyKKYXYGCRJZAECD-UHFFFAOYSA-N
MW321.81 g/mol
LogP1.76
Rot. Bonds2

About N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide

N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide (PubChem CID 120662146) has the molecular formula C15H20ClN5O and a molecular weight of 321.81 g/mol. Its IUPAC name is N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
PubChem CID120662146
Molecular FormulaC15H20ClN5O
Molecular Weight321.81 g/mol
Exact Mass321.14
IUPAC NameN'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
SMILESCC1CN(/C(N)=N/Cc2nc3cccc(Cl)c3n2C)CCO1
InChIInChI=1S/C15H20ClN5O/c1-10-9-21(6-7-22-10)15(17)18-8-13-19-12-5-3-4-11(16)14(12)20(13)2/h3-5,10H,6-9H2,1-2H3,(H2,17,18)
InChIKeyKKYXYGCRJZAECD-UHFFFAOYSA-N
XLogP1.76
TPSA68.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.81
LogP ≤ 51.76
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

N'-[(5-methoxy-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662142
2-methyl-N'-[(4-phenyl-1,2,4-triazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661279
2-methyl-N'-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661263
2-methyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]morpholine-4-carboximidamide
CID 120661374
N'-[(1,6-dimethyl-2-oxo-3-pyridinyl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120662286
N'-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120661163
N'-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120663185
N'-[(4-cyclopropyl-1,3-thiazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide
CID 120661882
2-methyl-N'-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661143
N'-[[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]methyl]-2-methylmorpholine-4-carboximidamide
CID 120661286
2-methyl-N'-[(4-methyl-1,3-thiazol-2-yl)methyl]morpholine-4-carboximidamide;hydroiodide
CID 120661149
N'-[(1-cyclopropyl-2-ethylbenzimidazol-5-yl)methyl]-2-methylmorpholine-4-carboximidamide;hydroiodide
CID 120822845

Frequently Asked Questions

What is the IUPAC name of N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
The IUPAC name of N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide (CID 120662146) is N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide.
What is the SMILES notation for N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
The canonical SMILES for N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide is CC1CN(/C(N)=N/Cc2nc3cccc(Cl)c3n2C)CCO1.
What is the InChIKey of N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
The InChIKey is KKYXYGCRJZAECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN5O/c1-10-9-21(6-7-22-10)15(17)18-8-13-19-12-5-3-4-11(16)14(12)20(13)2/h3-5,10H,6-9H2,1-2H3,(H2,17,18).
What are the key properties of N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide?
N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide has a molecular weight of 321.81 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(7-chloro-1-methylbenzimidazol-2-yl)methyl]-2-methylmorpholine-4-carboximidamide is sourced from PubChem (CID 120662146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).