N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine

C14H17ClFN3O — CID 106568955

IUPACN-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFN3O/c1-2-20-9-3-7-19-8-6-17-14(19)18-13-5-4-11(15)10-12(13)16/h4-6,8,10H,2-3,7,9H2,1H3,(H,17,18)
InChIKeyROFGWWMGFILJQI-UHFFFAOYSA-N
MW297.76 g/mol
LogP3.85
Rot. Bonds7

About N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine

N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine (PubChem CID 106568955) has the molecular formula C14H17ClFN3O and a molecular weight of 297.76 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
PubChem CID106568955
Molecular FormulaC14H17ClFN3O
Molecular Weight297.76 g/mol
Exact Mass297.10
IUPAC NameN-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1Nc1ccc(Cl)cc1F
InChIInChI=1S/C14H17ClFN3O/c1-2-20-9-3-7-19-8-6-17-14(19)18-13-5-4-11(15)10-12(13)16/h4-6,8,10H,2-3,7,9H2,1H3,(H,17,18)
InChIKeyROFGWWMGFILJQI-UHFFFAOYSA-N
XLogP3.85
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.76
LogP ≤ 53.85
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-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine (CID 106568955) is N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine is CCOCCCn1ccnc1Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
The InChIKey is ROFGWWMGFILJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClFN3O/c1-2-20-9-3-7-19-8-6-17-14(19)18-13-5-4-11(15)10-12(13)16/h4-6,8,10H,2-3,7,9H2,1H3,(H,17,18).
What are the key properties of N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine?
N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine has a molecular weight of 297.76 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-1-(3-ethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106568955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).