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

C15H21FN4O — CID 115941748

IUPAC5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCCC1(c2ccc(F)cn2)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C15H21FN4O/c1-2-15(13-6-5-11(16)8-18-13)10-19-14(17)20(15)9-12-4-3-7-21-12/h5-6,8,12H,2-4,7,9-10H2,1H3,(H2,17,19)
InChIKeyMDJSFZMNLKCWEY-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.64
Rot. Bonds4

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

5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (PubChem CID 115941748) has the molecular formula C15H21FN4O and a molecular weight of 292.36 g/mol. Its IUPAC name is 5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
PubChem CID115941748
Molecular FormulaC15H21FN4O
Molecular Weight292.36 g/mol
Exact Mass292.17
IUPAC Name5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine
SMILESCCC1(c2ccc(F)cn2)CN=C(N)N1CC1CCCO1
InChIInChI=1S/C15H21FN4O/c1-2-15(13-6-5-11(16)8-18-13)10-19-14(17)20(15)9-12-4-3-7-21-12/h5-6,8,12H,2-4,7,9-10H2,1H3,(H2,17,19)
InChIKeyMDJSFZMNLKCWEY-UHFFFAOYSA-N
XLogP1.64
TPSA63.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The IUPAC name of 5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine (CID 115941748) is 5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is CCC1(c2ccc(F)cn2)CN=C(N)N1CC1CCCO1.
What is the InChIKey of 5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
The InChIKey is MDJSFZMNLKCWEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O/c1-2-15(13-6-5-11(16)8-18-13)10-19-14(17)20(15)9-12-4-3-7-21-12/h5-6,8,12H,2-4,7,9-10H2,1H3,(H2,17,19).
What are the key properties of 5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine?
5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine has a molecular weight of 292.36 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(5-fluoro-2-pyridinyl)-1-(oxolan-2-ylmethyl)-4H-imidazol-2-amine is sourced from PubChem (CID 115941748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).