2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine

C13H15F2N3 — CID 79811525

IUPAC2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine
SMILESCCC(C)(N)c1ncc(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C13H15F2N3/c1-3-13(2,16)12-17-7-11(18-12)9-5-4-8(14)6-10(9)15/h4-7H,3,16H2,1-2H3,(H,17,18)
InChIKeyMQMUYEBJPGVAIP-UHFFFAOYSA-N
MW251.28 g/mol
LogP2.94
Rot. Bonds3

About 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine

2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine (PubChem CID 79811525) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine
PubChem CID79811525
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine
SMILESCCC(C)(N)c1ncc(-c2ccc(F)cc2F)[nH]1
InChIInChI=1S/C13H15F2N3/c1-3-13(2,16)12-17-7-11(18-12)9-5-4-8(14)6-10(9)15/h4-7H,3,16H2,1-2H3,(H,17,18)
InChIKeyMQMUYEBJPGVAIP-UHFFFAOYSA-N
XLogP2.94
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine?
The IUPAC name of 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine (CID 79811525) is 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine.
What is the SMILES notation for 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine?
The canonical SMILES for 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine is CCC(C)(N)c1ncc(-c2ccc(F)cc2F)[nH]1.
What is the InChIKey of 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine?
The InChIKey is MQMUYEBJPGVAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-3-13(2,16)12-17-7-11(18-12)9-5-4-8(14)6-10(9)15/h4-7H,3,16H2,1-2H3,(H,17,18).
What are the key properties of 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine?
2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine has a molecular weight of 251.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine is sourced from PubChem (CID 79811525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).