[2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine

C11H11F2N3 — CID 64558732

IUPAC[2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(Cc2ccc(F)cc2F)[nH]1
InChIInChI=1S/C11H11F2N3/c12-8-2-1-7(10(13)4-8)3-11-15-6-9(5-14)16-11/h1-2,4,6H,3,5,14H2,(H,15,16)
InChIKeyCGRJVCMYWXMMSL-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.74
Rot. Bonds3

About [2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine

[2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine (PubChem CID 64558732) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is [2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
PubChem CID64558732
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name[2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine
SMILESNCc1cnc(Cc2ccc(F)cc2F)[nH]1
InChIInChI=1S/C11H11F2N3/c12-8-2-1-7(10(13)4-8)3-11-15-6-9(5-14)16-11/h1-2,4,6H,3,5,14H2,(H,15,16)
InChIKeyCGRJVCMYWXMMSL-UHFFFAOYSA-N
XLogP1.74
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine?
The IUPAC name of [2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine (CID 64558732) is [2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine.
What is the SMILES notation for [2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine?
The canonical SMILES for [2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine is NCc1cnc(Cc2ccc(F)cc2F)[nH]1.
What is the InChIKey of [2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine?
The InChIKey is CGRJVCMYWXMMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c12-8-2-1-7(10(13)4-8)3-11-15-6-9(5-14)16-11/h1-2,4,6H,3,5,14H2,(H,15,16).
What are the key properties of [2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine?
[2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine has a molecular weight of 223.23 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-difluorophenyl)methyl]-1H-imidazol-5-yl]methanamine is sourced from PubChem (CID 64558732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).