3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine

C15H19F2N3 — CID 62219554

IUPAC3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2ccc(F)c(F)c2)c1N
InChIInChI=1S/C15H19F2N3/c1-3-5-8-20-13(4-2)19-14(15(20)18)10-6-7-11(16)12(17)9-10/h6-7,9H,3-5,8,18H2,1-2H3
InChIKeyBCRDTFWAHBHRTB-UHFFFAOYSA-N
MW279.33 g/mol
LogP3.77
Rot. Bonds5

About 3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine

3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine (PubChem CID 62219554) has the molecular formula C15H19F2N3 and a molecular weight of 279.33 g/mol. Its IUPAC name is 3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine.

Molecular Properties

Compound Name3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine
PubChem CID62219554
Molecular FormulaC15H19F2N3
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine
SMILESCCCCn1c(CC)nc(-c2ccc(F)c(F)c2)c1N
InChIInChI=1S/C15H19F2N3/c1-3-5-8-20-13(4-2)19-14(15(20)18)10-6-7-11(16)12(17)9-10/h6-7,9H,3-5,8,18H2,1-2H3
InChIKeyBCRDTFWAHBHRTB-UHFFFAOYSA-N
XLogP3.77
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine?
The IUPAC name of 3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine (CID 62219554) is 3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine.
What is the SMILES notation for 3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine?
The canonical SMILES for 3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine is CCCCn1c(CC)nc(-c2ccc(F)c(F)c2)c1N.
What is the InChIKey of 3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine?
The InChIKey is BCRDTFWAHBHRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3/c1-3-5-8-20-13(4-2)19-14(15(20)18)10-6-7-11(16)12(17)9-10/h6-7,9H,3-5,8,18H2,1-2H3.
What are the key properties of 3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine?
3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine has a molecular weight of 279.33 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-(3,4-difluorophenyl)-2-ethylimidazol-4-amine is sourced from PubChem (CID 62219554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).