1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine

C15H20ClN3O — CID 106566922

IUPAC1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1C(C)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O/c1-12(13-6-3-4-7-14(13)16)19-10-9-18-15(19)17-8-5-11-20-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,17,18)
InChIKeyHCGLQDYNRJYYCW-UHFFFAOYSA-N
MW293.80 g/mol
LogP3.59
Rot. Bonds7

About 1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine

1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine (PubChem CID 106566922) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
PubChem CID106566922
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
SMILESCOCCCNc1nccn1C(C)c1ccccc1Cl
InChIInChI=1S/C15H20ClN3O/c1-12(13-6-3-4-7-14(13)16)19-10-9-18-15(19)17-8-5-11-20-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,17,18)
InChIKeyHCGLQDYNRJYYCW-UHFFFAOYSA-N
XLogP3.59
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 ≤ 53.59
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

1-[1-(2-chlorophenyl)ethyl]-N-ethylimidazol-2-amine
CID 106566928
N-butyl-1-[1-(2-methylphenyl)ethyl]imidazol-2-amine
CID 106567411
1-(2,3-dichlorophenyl)-N-(3-methoxypropyl)imidazol-2-amine
CID 106560326
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838
N-[(2-chlorophenyl)methyl]-1-(1-methoxypropan-2-yl)imidazol-2-amine
CID 106557059
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
1-[2-(2-methoxyethyl)phenyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106582958
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106557775
N-(3-ethoxypropyl)-1-(1-pyridin-3-ylethyl)imidazol-2-amine
CID 106561960
1-(2-chlorophenyl)-N-(3-methoxypropyl)-4-methylimidazol-2-amine
CID 106558787
1-[(3-chlorophenyl)methyl]-N-(3-methoxypropyl)imidazol-2-amine
CID 106570134

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
The IUPAC name of 1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine (CID 106566922) is 1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine is COCCCNc1nccn1C(C)c1ccccc1Cl.
What is the InChIKey of 1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
The InChIKey is HCGLQDYNRJYYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-12(13-6-3-4-7-14(13)16)19-10-9-18-15(19)17-8-5-11-20-2/h3-4,6-7,9-10,12H,5,8,11H2,1-2H3,(H,17,18).
What are the key properties of 1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine?
1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine has a molecular weight of 293.80 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)ethyl]-N-(3-methoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106566922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).