N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C15H22ClIN4O — CID 120972680

IUPACN-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1cc(Cl)ccc1N1CCOCC1.I
InChIInChI=1S/C15H21ClN4O.HI/c1-19-5-4-17-15(19)18-11-12-10-13(16)2-3-14(12)20-6-8-21-9-7-20;/h2-3,10H,4-9,11H2,1H3,(H,17,18);1H
InChIKeyLGCWPYOOHWAMNK-UHFFFAOYSA-N
MW436.73 g/mol
LogP2.19
Rot. Bonds3

About N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972680) has the molecular formula C15H22ClIN4O and a molecular weight of 436.73 g/mol. Its IUPAC name is N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972680
Molecular FormulaC15H22ClIN4O
Molecular Weight436.73 g/mol
Exact Mass436.05
IUPAC NameN-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1cc(Cl)ccc1N1CCOCC1.I
InChIInChI=1S/C15H21ClN4O.HI/c1-19-5-4-17-15(19)18-11-12-10-13(16)2-3-14(12)20-6-8-21-9-7-20;/h2-3,10H,4-9,11H2,1H3,(H,17,18);1H
InChIKeyLGCWPYOOHWAMNK-UHFFFAOYSA-N
XLogP2.19
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.73
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972030
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970987
1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine
CID 117425635
4-[(5-chloro-2-morpholin-4-ylphenyl)methylamino]pyridine-2-carboxamide
CID 167918382
[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
CID 114845567
1-methyl-N-(2-morpholin-4-ylphenyl)-4,5-dihydroimidazol-2-amine
CID 15746363
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969452
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971323
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971050
3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid
CID 117427366
N-[2-(3-chlorophenyl)-2-methylpropyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970612
1-[(5-chloro-2-morpholin-4-ylphenyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 122013124

Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972680) is N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCc1cc(Cl)ccc1N1CCOCC1.I.
What is the InChIKey of N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is LGCWPYOOHWAMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O.HI/c1-19-5-4-17-15(19)18-11-12-10-13(16)2-3-14(12)20-6-8-21-9-7-20;/h2-3,10H,4-9,11H2,1H3,(H,17,18);1H.
What are the key properties of N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 436.73 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).