1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine

C15H20ClN3O — CID 106568099

IUPAC1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1CCc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O/c1-12-11-19(15(18-12)17-8-10-20-2)9-7-13-3-5-14(16)6-4-13/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChIKeyWRIWVLPPMYRSMJ-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.15
Rot. Bonds7

About 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine

1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine (PubChem CID 106568099) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
PubChem CID106568099
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine
SMILESCOCCNc1nc(C)cn1CCc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClN3O/c1-12-11-19(15(18-12)17-8-10-20-2)9-7-13-3-5-14(16)6-4-13/h3-6,11H,7-10H2,1-2H3,(H,17,18)
InChIKeyWRIWVLPPMYRSMJ-UHFFFAOYSA-N
XLogP3.15
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 ≤ 53.15
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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Related Compounds

N-[(4-chlorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554458
N-(2-methoxyethyl)-4-methyl-1-[2-(2-methylpyrazol-3-yl)ethyl]imidazol-2-amine
CID 106582991
1-(2-cyclopropylethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106575804
N-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106565203
N-(2-methoxyethyl)-4-methyl-1-(3-methylsulfinylbutyl)imidazol-2-amine
CID 106580263
4-methyl-N-propyl-1-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563289
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106564440
N-(2-methoxyethyl)-4-methyl-1-(3-pyrrolidin-1-ylpropyl)imidazol-2-amine
CID 106572059
1-(cyclopropylmethyl)-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106555207
N-(2-methoxyethyl)-4-methyl-1-[(2-methylphenyl)methyl]imidazol-2-amine
CID 106563145
N-[(4-bromophenyl)methyl]-1-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106560515
1-[2-(2-methoxyethoxy)ethyl]-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106564456

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The IUPAC name of 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine (CID 106568099) is 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine is COCCNc1nc(C)cn1CCc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
The InChIKey is WRIWVLPPMYRSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-12-11-19(15(18-12)17-8-10-20-2)9-7-13-3-5-14(16)6-4-13/h3-6,11H,7-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine?
1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine has a molecular weight of 293.80 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)ethyl]-N-(2-methoxyethyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106568099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).