(2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine

C11H11F2N3 — CID 107974964

IUPAC(2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine
SMILESCn1cnc(C(N)c2ccc(F)cc2F)c1
InChIInChI=1S/C11H11F2N3/c1-16-5-10(15-6-16)11(14)8-3-2-7(12)4-9(8)13/h2-6,11H,14H2,1H3
InChIKeyALPMZRGIQCNTNQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.75
Rot. Bonds2

About (2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine

(2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine (PubChem CID 107974964) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine
PubChem CID107974964
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name(2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine
SMILESCn1cnc(C(N)c2ccc(F)cc2F)c1
InChIInChI=1S/C11H11F2N3/c1-16-5-10(15-6-16)11(14)8-3-2-7(12)4-9(8)13/h2-6,11H,14H2,1H3
InChIKeyALPMZRGIQCNTNQ-UHFFFAOYSA-N
XLogP1.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-difluorophenyl)-N-methyl-1-(1-methylimidazol-4-yl)methanamine
CID 107974970
(2-methoxy-3,4-dimethylphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107977950
(1S)-1-(1-methylimidazol-4-yl)ethanamine
CID 96637865
(1-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methanamine
CID 114022944
N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107974113
(2,4-difluorophenyl)methanediamine
CID 116939170
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-4-yl)methyl]ethanamine
CID 107977844
(1-methylimidazol-4-yl)-quinolin-5-ylmethanamine
CID 114023159
(2,4-difluorophenyl)-(3,5-dimethylphenyl)methanamine
CID 43197780
(2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine
CID 114219213
(4-tert-butylphenyl)-(1-methylimidazol-4-yl)methanamine
CID 107974705
(1R)-1-(1-methylimidazol-4-yl)ethanamine;dihydrochloride
CID 162341661

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine?
The IUPAC name of (2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine (CID 107974964) is (2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine.
What is the SMILES notation for (2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine?
The canonical SMILES for (2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine is Cn1cnc(C(N)c2ccc(F)cc2F)c1.
What is the InChIKey of (2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine?
The InChIKey is ALPMZRGIQCNTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-16-5-10(15-6-16)11(14)8-3-2-7(12)4-9(8)13/h2-6,11H,14H2,1H3.
What are the key properties of (2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine?
(2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine has a molecular weight of 223.23 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(1-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 107974964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).