2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine

C15H20ClN3O — CID 106819455

IUPAC2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCn1cncc1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-12-3-4-13(9-14(12)16)15-10-18-11-19(15)7-5-17-6-8-20-2/h3-4,9-11,17H,5-8H2,1-2H3
InChIKeyNKSZYJLVTSYJTL-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.75
Rot. Bonds7

About 2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine

2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine (PubChem CID 106819455) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine.

Molecular Properties

Compound Name2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine
PubChem CID106819455
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine
SMILESCOCCNCCn1cncc1-c1ccc(C)c(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-12-3-4-13(9-14(12)16)15-10-18-11-19(15)7-5-17-6-8-20-2/h3-4,9-11,17H,5-8H2,1-2H3
InChIKeyNKSZYJLVTSYJTL-UHFFFAOYSA-N
XLogP2.75
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine?
The IUPAC name of 2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine (CID 106819455) is 2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine.
What is the SMILES notation for 2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine?
The canonical SMILES for 2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine is COCCNCCn1cncc1-c1ccc(C)c(Cl)c1.
What is the InChIKey of 2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine?
The InChIKey is NKSZYJLVTSYJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-12-3-4-13(9-14(12)16)15-10-18-11-19(15)7-5-17-6-8-20-2/h3-4,9-11,17H,5-8H2,1-2H3.
What are the key properties of 2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine?
2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine has a molecular weight of 293.80 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chloro-4-methylphenyl)imidazol-1-yl]-N-(2-methoxyethyl)ethanamine is sourced from PubChem (CID 106819455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).