1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine

C13H15F2N3 — CID 106565199

IUPAC1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3/c1-9(2)17-13-16-5-6-18(13)8-10-3-4-11(14)12(15)7-10/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyIWVBVFPKLYMZNK-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.03
Rot. Bonds4

About 1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine

1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine (PubChem CID 106565199) has the molecular formula C13H15F2N3 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine
PubChem CID106565199
Molecular FormulaC13H15F2N3
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine
SMILESCC(C)Nc1nccn1Cc1ccc(F)c(F)c1
InChIInChI=1S/C13H15F2N3/c1-9(2)17-13-16-5-6-18(13)8-10-3-4-11(14)12(15)7-10/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyIWVBVFPKLYMZNK-UHFFFAOYSA-N
XLogP3.03
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106567183
1-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106570211
methyl 4-[(3,4-difluorophenyl)methyl]-3-oxopyrazine-2-carboxylate
CID 58443085
1-[(3,4-difluorophenyl)methyl]-4-[2-(2-methylimidazol-1-yl)ethyl]piperazine
CID 90533989
1-(naphthalen-1-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106571365
3-[(3,4-difluorophenyl)methyl]-N-methylimidazo[4,5-b]pyridin-2-amine
CID 122445539
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
[1-[(4-fluorophenyl)methyl]imidazol-2-yl]hydrazine
CID 174374268
N-[[1-[(3,4-difluorophenyl)methyl]pyrrol-2-yl]methyl]-2-methylpropan-2-amine
CID 82919681
1-ethyl-N-[1-(4-fluorophenyl)propan-2-yl]imidazol-2-amine
CID 62995363
1-[(5-methyl-1H-pyrazol-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106568819
[4-[[2-[(3,4-difluorophenyl)methyl]imidazol-1-yl]methyl]phenyl]methanamine
CID 82558352

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine (CID 106565199) is 1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine is CC(C)Nc1nccn1Cc1ccc(F)c(F)c1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine?
The InChIKey is IWVBVFPKLYMZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3/c1-9(2)17-13-16-5-6-18(13)8-10-3-4-11(14)12(15)7-10/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine?
1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine has a molecular weight of 251.28 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106565199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).