N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline

C17H24FN3O3 — CID 135160839

IUPACN-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline
SMILESCCOCCc1cnc(CN(C)c2cc(OC)cc(OC)c2F)[nH]1
InChIInChI=1S/C17H24FN3O3/c1-5-24-7-6-12-10-19-16(20-12)11-21(2)14-8-13(22-3)9-15(23-4)17(14)18/h8-10H,5-7,11H2,1-4H3,(H,19,20)
InChIKeyQEULGHBTPQNFCQ-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.78
Rot. Bonds9

About N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline

N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline (PubChem CID 135160839) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline.

Molecular Properties

Compound NameN-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline
PubChem CID135160839
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC NameN-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline
SMILESCCOCCc1cnc(CN(C)c2cc(OC)cc(OC)c2F)[nH]1
InChIInChI=1S/C17H24FN3O3/c1-5-24-7-6-12-10-19-16(20-12)11-21(2)14-8-13(22-3)9-15(23-4)17(14)18/h8-10H,5-7,11H2,1-4H3,(H,19,20)
InChIKeyQEULGHBTPQNFCQ-UHFFFAOYSA-N
XLogP2.78
TPSA59.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline?
The IUPAC name of N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline (CID 135160839) is N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline.
What is the SMILES notation for N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline?
The canonical SMILES for N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline is CCOCCc1cnc(CN(C)c2cc(OC)cc(OC)c2F)[nH]1.
What is the InChIKey of N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline?
The InChIKey is QEULGHBTPQNFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-5-24-7-6-12-10-19-16(20-12)11-21(2)14-8-13(22-3)9-15(23-4)17(14)18/h8-10H,5-7,11H2,1-4H3,(H,19,20).
What are the key properties of N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline?
N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline has a molecular weight of 337.40 g/mol, XLogP of 2.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethoxyethyl)-1H-imidazol-2-yl]methyl]-2-fluoro-3,5-dimethoxy-N-methylaniline is sourced from PubChem (CID 135160839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).