N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine

C14H17Cl2N3O — CID 63109629

IUPACN-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(Cc2c(Cl)cccc2Cl)[nH]1
InChIInChI=1S/C14H17Cl2N3O/c1-20-6-5-17-8-10-9-18-14(19-10)7-11-12(15)3-2-4-13(11)16/h2-4,9,17H,5-8H2,1H3,(H,18,19)
InChIKeyCBJLBUIDHRANGG-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.04
Rot. Bonds7

About N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine

N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine (PubChem CID 63109629) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
PubChem CID63109629
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC NameN-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(Cc2c(Cl)cccc2Cl)[nH]1
InChIInChI=1S/C14H17Cl2N3O/c1-20-6-5-17-8-10-9-18-14(19-10)7-11-12(15)3-2-4-13(11)16/h2-4,9,17H,5-8H2,1H3,(H,18,19)
InChIKeyCBJLBUIDHRANGG-UHFFFAOYSA-N
XLogP3.04
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-[(2-chloro-4-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 63109417
2-methoxy-N-[[2-[(2-methoxyphenyl)methyl]-1H-imidazol-5-yl]methyl]ethanamine
CID 63109514
2-methoxy-N-[(2-propyl-1H-imidazol-5-yl)methyl]ethanamine
CID 63109492
N-[[2-(3-chloro-2-pyridinyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 103445386
2-methoxy-N-[[2-(1-methoxy-2-methylpropyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 116732229
N-[[2-(tert-butylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 65137664
N-[[2-[(2-chloro-6-fluorophenyl)methyl]-1H-imidazol-5-yl]methyl]propan-2-amine
CID 63109276
N-[(2-chloro-6-pyrimidin-2-ylsulfanylphenyl)methyl]-2-methoxyethanamine
CID 63804632
N-[[2-chloro-6-(2-methoxyethoxy)phenyl]methyl]-2-methoxyethanamine
CID 114320091
methyl 2-[(2,6-dichlorophenyl)methyl]-1H-imidazole-5-carboxylate
CID 58958507
N-[[2-[(4-bromophenyl)sulfanylmethyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 66057320
N-[[2-(cyclopentylsulfanylmethyl)-1H-imidazol-5-yl]methyl]-2-methoxyethanamine
CID 65140494

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine (CID 63109629) is N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine is COCCNCc1cnc(Cc2c(Cl)cccc2Cl)[nH]1.
What is the InChIKey of N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is CBJLBUIDHRANGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c1-20-6-5-17-8-10-9-18-14(19-10)7-11-12(15)3-2-4-13(11)16/h2-4,9,17H,5-8H2,1H3,(H,18,19).
What are the key properties of N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine?
N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 314.22 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,6-dichlorophenyl)methyl]-1H-imidazol-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63109629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).