1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine

C10H17F2N3O — CID 106578245

IUPAC1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1CC(F)F
InChIInChI=1S/C10H17F2N3O/c1-2-16-7-3-4-13-10-14-5-6-15(10)8-9(11)12/h5-6,9H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyNJQHXUCTFOMUFE-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.99
Rot. Bonds8

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

1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine (PubChem CID 106578245) has the molecular formula C10H17F2N3O and a molecular weight of 233.26 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine
PubChem CID106578245
Molecular FormulaC10H17F2N3O
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine
SMILESCCOCCCNc1nccn1CC(F)F
InChIInChI=1S/C10H17F2N3O/c1-2-16-7-3-4-13-10-14-5-6-15(10)8-9(11)12/h5-6,9H,2-4,7-8H2,1H3,(H,13,14)
InChIKeyNJQHXUCTFOMUFE-UHFFFAOYSA-N
XLogP1.99
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.99
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-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558812
N-(3-ethoxypropyl)-1-propan-2-ylimidazol-2-amine
CID 106554823
N-(3-ethoxypropyl)-1-[(3-methylthiophen-2-yl)methyl]imidazol-2-amine
CID 106578003
N-(3-methoxypropyl)-1-(2-methylpropyl)imidazol-2-amine
CID 106554984
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
N-(3-ethoxypropyl)-1-(3-ethylpentan-2-yl)imidazol-2-amine
CID 106572234
N-(3-ethoxypropyl)-1-(oxolan-2-ylmethyl)imidazol-2-amine
CID 106560093
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
CID 106580528
N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine
CID 106561310
3-(3-ethoxypropylamino)-1-ethylpyrazin-2-one
CID 62940527

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The IUPAC name of 1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine (CID 106578245) is 1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The canonical SMILES for 1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine is CCOCCCNc1nccn1CC(F)F.
What is the InChIKey of 1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine?
The InChIKey is NJQHXUCTFOMUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O/c1-2-16-7-3-4-13-10-14-5-6-15(10)8-9(11)12/h5-6,9H,2-4,7-8H2,1H3,(H,13,14).
What are the key properties of 1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine?
1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine has a molecular weight of 233.26 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-N-(3-ethoxypropyl)imidazol-2-amine is sourced from PubChem (CID 106578245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).