2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine

C14H17F2N3 — CID 65230623

IUPAC2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C14H17F2N3/c1-8(2)11(6-17)14-18-7-13(19-14)10-5-9(15)3-4-12(10)16/h3-5,7-8,11H,6,17H2,1-2H3,(H,18,19)
InChIKeyMPBGAYRFSALZSR-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.05
Rot. Bonds4

About 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine

2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine (PubChem CID 65230623) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
PubChem CID65230623
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1ncc(-c2cc(F)ccc2F)[nH]1
InChIInChI=1S/C14H17F2N3/c1-8(2)11(6-17)14-18-7-13(19-14)10-5-9(15)3-4-12(10)16/h3-5,7-8,11H,6,17H2,1-2H3,(H,18,19)
InChIKeyMPBGAYRFSALZSR-UHFFFAOYSA-N
XLogP3.05
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine (CID 65230623) is 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine is CC(C)C(CN)c1ncc(-c2cc(F)ccc2F)[nH]1.
What is the InChIKey of 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
The InChIKey is MPBGAYRFSALZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-8(2)11(6-17)14-18-7-13(19-14)10-5-9(15)3-4-12(10)16/h3-5,7-8,11H,6,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine?
2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine has a molecular weight of 265.31 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 65230623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).