[3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine

C11H11F2N3 — CID 121199545

IUPAC[3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
SMILESNCc1cncn1Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2N3/c12-9-1-8(2-10(13)3-9)6-16-7-15-5-11(16)4-14/h1-3,5,7H,4,6,14H2
InChIKeyNSLCATHKOZTWRI-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.67
Rot. Bonds3

About [3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine

[3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine (PubChem CID 121199545) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is [3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
PubChem CID121199545
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name[3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine
SMILESNCc1cncn1Cc1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2N3/c12-9-1-8(2-10(13)3-9)6-16-7-15-5-11(16)4-14/h1-3,5,7H,4,6,14H2
InChIKeyNSLCATHKOZTWRI-UHFFFAOYSA-N
XLogP1.67
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine?
The IUPAC name of [3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine (CID 121199545) is [3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine.
What is the SMILES notation for [3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine?
The canonical SMILES for [3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine is NCc1cncn1Cc1cc(F)cc(F)c1.
What is the InChIKey of [3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine?
The InChIKey is NSLCATHKOZTWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c12-9-1-8(2-10(13)3-9)6-16-7-15-5-11(16)4-14/h1-3,5,7H,4,6,14H2.
What are the key properties of [3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine?
[3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine has a molecular weight of 223.23 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3,5-difluorophenyl)methyl]imidazol-4-yl]methanamine is sourced from PubChem (CID 121199545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).