N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine

C15H20ClN3O — CID 106558383

IUPACN-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCn1cc(C)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-3-20-9-5-8-19-11-12(2)17-15(19)18-14-7-4-6-13(16)10-14/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,17,18)
InChIKeyGGFDSWBGMWRFOA-UHFFFAOYSA-N
MW293.80 g/mol
LogP4.02
Rot. Bonds7

About N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine

N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine (PubChem CID 106558383) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
PubChem CID106558383
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC NameN-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
SMILESCCOCCCn1cc(C)nc1Nc1cccc(Cl)c1
InChIInChI=1S/C15H20ClN3O/c1-3-20-9-5-8-19-11-12(2)17-15(19)18-14-7-4-6-13(16)10-14/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,17,18)
InChIKeyGGFDSWBGMWRFOA-UHFFFAOYSA-N
XLogP4.02
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 ≤ 54.02
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 N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The IUPAC name of N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine (CID 106558383) is N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine is CCOCCCn1cc(C)nc1Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
The InChIKey is GGFDSWBGMWRFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-3-20-9-5-8-19-11-12(2)17-15(19)18-14-7-4-6-13(16)10-14/h4,6-7,10-11H,3,5,8-9H2,1-2H3,(H,17,18).
What are the key properties of N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine?
N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine has a molecular weight of 293.80 g/mol, XLogP of 4.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106558383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).