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

C14H17F2N3 — CID 63096712

IUPAC1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nccn1Cc1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3/c1-2-12(17)8-14-18-5-6-19(14)9-10-7-11(15)3-4-13(10)16/h3-7,12H,2,8-9,17H2,1H3
InChIKeyVHELKVHAHRJOHH-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.49
Rot. Bonds5

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

1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine (PubChem CID 63096712) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine
PubChem CID63096712
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine
SMILESCCC(N)Cc1nccn1Cc1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3/c1-2-12(17)8-14-18-5-6-19(14)9-10-7-11(15)3-4-13(10)16/h3-7,12H,2,8-9,17H2,1H3
InChIKeyVHELKVHAHRJOHH-UHFFFAOYSA-N
XLogP2.49
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine?
The IUPAC name of 1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine (CID 63096712) is 1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine.
What is the SMILES notation for 1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine?
The canonical SMILES for 1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine is CCC(N)Cc1nccn1Cc1cc(F)ccc1F.
What is the InChIKey of 1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine?
The InChIKey is VHELKVHAHRJOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-2-12(17)8-14-18-5-6-19(14)9-10-7-11(15)3-4-13(10)16/h3-7,12H,2,8-9,17H2,1H3.
What are the key properties of 1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine?
1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine has a molecular weight of 265.31 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-difluorophenyl)methyl]imidazol-2-yl]butan-2-amine is sourced from PubChem (CID 63096712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).