5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine

C16H22FN3O — CID 79500098

IUPAC5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCCC1(c2ccc(F)cc2)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C16H22FN3O/c1-2-16(12-5-7-13(17)8-6-12)11-19-15(18)20(16)10-14-4-3-9-21-14/h5-8,14H,2-4,9-11H2,1H3,(H2,18,19)
InChIKeyPAASSIHHKVOBFQ-UHFFFAOYSA-N
MW291.37 g/mol
LogP2.24
Rot. Bonds4

About 5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine

5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (PubChem CID 79500098) has the molecular formula C16H22FN3O and a molecular weight of 291.37 g/mol. Its IUPAC name is 5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
PubChem CID79500098
Molecular FormulaC16H22FN3O
Molecular Weight291.37 g/mol
Exact Mass291.17
IUPAC Name5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCCC1(c2ccc(F)cc2)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C16H22FN3O/c1-2-16(12-5-7-13(17)8-6-12)11-19-15(18)20(16)10-14-4-3-9-21-14/h5-8,14H,2-4,9-11H2,1H3,(H2,18,19)
InChIKeyPAASSIHHKVOBFQ-UHFFFAOYSA-N
XLogP2.24
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The IUPAC name of 5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (CID 79500098) is 5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is CCC1(c2ccc(F)cc2)CN=C(N)N1CC1CCCO1.
What is the InChIKey of 5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The InChIKey is PAASSIHHKVOBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O/c1-2-16(12-5-7-13(17)8-6-12)11-19-15(18)20(16)10-14-4-3-9-21-14/h5-8,14H,2-4,9-11H2,1H3,(H2,18,19).
What are the key properties of 5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine has a molecular weight of 291.37 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(4-fluorophenyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79500098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).