3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine

C12H13F2N3 — CID 43650814

IUPAC3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(-c2ccc(F)c(F)c2)[nH]1
InChIInChI=1S/C12H13F2N3/c13-9-4-3-8(6-10(9)14)11-7-16-12(17-11)2-1-5-15/h3-4,6-7H,1-2,5,15H2,(H,16,17)
InChIKeyQMHXHELUYJKATE-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.25
Rot. Bonds4

About 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine

3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine (PubChem CID 43650814) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
PubChem CID43650814
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(-c2ccc(F)c(F)c2)[nH]1
InChIInChI=1S/C12H13F2N3/c13-9-4-3-8(6-10(9)14)11-7-16-12(17-11)2-1-5-15/h3-4,6-7H,1-2,5,15H2,(H,16,17)
InChIKeyQMHXHELUYJKATE-UHFFFAOYSA-N
XLogP2.25
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine (CID 43650814) is 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine is NCCCc1ncc(-c2ccc(F)c(F)c2)[nH]1.
What is the InChIKey of 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
The InChIKey is QMHXHELUYJKATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c13-9-4-3-8(6-10(9)14)11-7-16-12(17-11)2-1-5-15/h3-4,6-7H,1-2,5,15H2,(H,16,17).
What are the key properties of 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine?
3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine has a molecular weight of 237.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,4-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine is sourced from PubChem (CID 43650814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).