N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine

C12H18ClN5O — CID 106720417

IUPACN-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn(Cc2ncc(Cl)n2C)cn1
InChIInChI=1S/C12H18ClN5O/c1-17-11(13)6-15-12(17)8-18-7-10(16-9-18)5-14-3-4-19-2/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyKENWORMKCSGLBR-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.05
Rot. Bonds7

About N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine

N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine (PubChem CID 106720417) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
PubChem CID106720417
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC NameN-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cn(Cc2ncc(Cl)n2C)cn1
InChIInChI=1S/C12H18ClN5O/c1-17-11(13)6-15-12(17)8-18-7-10(16-9-18)5-14-3-4-19-2/h6-7,9,14H,3-5,8H2,1-2H3
InChIKeyKENWORMKCSGLBR-UHFFFAOYSA-N
XLogP1.05
TPSA56.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine with MolForge

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Related Compounds

N-[[1-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine
CID 106720449
2-methoxy-N-[[1-[(4-propan-2-ylphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720538
2-methoxy-N-[[1-[(4-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720459
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362
2-methoxy-N-[[1-(3-phenoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 106720444
2-methoxy-N-[[1-[(3-methoxyphenyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720570
N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
2-methoxy-N-[[1-(thiophen-2-ylmethyl)imidazol-4-yl]methyl]ethanamine
CID 106720472
2-methoxy-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720594
4-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720634
2-methoxy-N-[[1-(3-propoxypropyl)imidazol-4-yl]methyl]ethanamine
CID 114204437
2-methoxy-N-[[1-[(6-methoxy-2-pyridinyl)methyl]imidazol-4-yl]methyl]ethanamine
CID 106720446

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine (CID 106720417) is N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine is COCCNCc1cn(Cc2ncc(Cl)n2C)cn1.
What is the InChIKey of N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is KENWORMKCSGLBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O/c1-17-11(13)6-15-12(17)8-18-7-10(16-9-18)5-14-3-4-19-2/h6-7,9,14H,3-5,8H2,1-2H3.
What are the key properties of N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine?
N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 283.76 g/mol, XLogP of 1.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(5-chloro-1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106720417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).