1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine

C14H17Cl2N3O — CID 106557243

IUPAC1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H17Cl2N3O/c1-2-20-7-3-4-17-14-18-5-6-19(14)13-9-11(15)8-12(16)10-13/h5-6,8-10H,2-4,7H2,1H3,(H,17,18)
InChIKeyRBCRLZYYKHAJQL-UHFFFAOYSA-N
MW314.22 g/mol
LogP4.02
Rot. Bonds7

About 1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine

1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine (PubChem CID 106557243) has the molecular formula C14H17Cl2N3O and a molecular weight of 314.22 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
PubChem CID106557243
Molecular FormulaC14H17Cl2N3O
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H17Cl2N3O/c1-2-20-7-3-4-17-14-18-5-6-19(14)13-9-11(15)8-12(16)10-13/h5-6,8-10H,2-4,7H2,1H3,(H,17,18)
InChIKeyRBCRLZYYKHAJQL-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 ≤ 500314.22
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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Related Compounds

1-(3,5-dichlorophenyl)-N-propylimidazol-2-amine
CID 106557266
1-(3-bromo-4-chlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106576622
1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558600
1-(2,5-dichloro-4-methylphenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106580610
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
N-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106578245
N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572234
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
3-(3-ethoxypropylamino)-1-ethylpyrazin-2-one
CID 62940527
N-butyl-1-(3,4-difluorophenyl)imidazol-2-amine
CID 106558157
1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558812

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The IUPAC name of 1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine (CID 106557243) is 1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine is CCOCCCNc1nccn1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The InChIKey is RBCRLZYYKHAJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O/c1-2-20-7-3-4-17-14-18-5-6-19(14)13-9-11(15)8-12(16)10-13/h5-6,8-10H,2-4,7H2,1H3,(H,17,18).
What are the key properties of 1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine?
1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine has a molecular weight of 314.22 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 1-(3,5-dichlorophenyl)-N-(3-ethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106557243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).