1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine

C14H19FN4 — CID 112586055

IUPAC1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
SMILESCCn1ccnc1CC(N)(CC)c1ccc(F)cn1
InChIInChI=1S/C14H19FN4/c1-3-14(16,12-6-5-11(15)10-18-12)9-13-17-7-8-19(13)4-2/h5-8,10H,3-4,9,16H2,1-2H3
InChIKeyBVRSRSHSTZBRMK-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.24
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine

1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine (PubChem CID 112586055) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
PubChem CID112586055
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine
SMILESCCn1ccnc1CC(N)(CC)c1ccc(F)cn1
InChIInChI=1S/C14H19FN4/c1-3-14(16,12-6-5-11(15)10-18-12)9-13-17-7-8-19(13)4-2/h5-8,10H,3-4,9,16H2,1-2H3
InChIKeyBVRSRSHSTZBRMK-UHFFFAOYSA-N
XLogP2.24
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine (CID 112586055) is 1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine is CCn1ccnc1CC(N)(CC)c1ccc(F)cn1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine?
The InChIKey is BVRSRSHSTZBRMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c1-3-14(16,12-6-5-11(15)10-18-12)9-13-17-7-8-19(13)4-2/h5-8,10H,3-4,9,16H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine?
1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine has a molecular weight of 262.33 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-2-(5-fluoro-2-pyridinyl)butan-2-amine is sourced from PubChem (CID 112586055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).