(2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine

C11H11F2N3 — CID 63974752

IUPAC(2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(N)c1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3/c1-16-5-4-15-11(16)10(14)8-6-7(12)2-3-9(8)13/h2-6,10H,14H2,1H3
InChIKeyUVSZLHQRUIVCKR-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.75
Rot. Bonds2

About (2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine

(2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine (PubChem CID 63974752) has the molecular formula C11H11F2N3 and a molecular weight of 223.23 g/mol. Its IUPAC name is (2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name(2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine
PubChem CID63974752
Molecular FormulaC11H11F2N3
Molecular Weight223.23 g/mol
Exact Mass223.09
IUPAC Name(2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(N)c1cc(F)ccc1F
InChIInChI=1S/C11H11F2N3/c1-16-5-4-15-11(16)10(14)8-6-7(12)2-3-9(8)13/h2-6,10H,14H2,1H3
InChIKeyUVSZLHQRUIVCKR-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

(4-fluoro-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 81278716
(5-fluoro-2-methylphenyl)-(1-propylimidazol-2-yl)methanamine
CID 63048979
(5-bromo-2-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 65312123
[(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105219387
(2,5-difluorophenyl)-(2-methyl-4-pyridinyl)methanamine
CID 106755257
(2,5-difluorophenyl)-(1-propylimidazol-2-yl)methanol
CID 63976483
N-[(2-chloro-5-fluorophenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 105395359
(2-methoxy-4-methylphenyl)-(1-methylimidazol-2-yl)methanamine
CID 106791541
(2,5-difluorophenyl)-(1,5-dimethylpyrazol-3-yl)methanamine
CID 114219213
1-(2,5-difluorophenyl)-N-ethyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79751985
1-(4-fluoro-2-iodophenyl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 114029545
2-(3,5-difluorophenyl)-1-(1-methylimidazol-2-yl)ethanamine
CID 63975383

Frequently Asked Questions

What is the IUPAC name of (2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of (2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine (CID 63974752) is (2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for (2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for (2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine is Cn1ccnc1C(N)c1cc(F)ccc1F.
What is the InChIKey of (2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine?
The InChIKey is UVSZLHQRUIVCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3/c1-16-5-4-15-11(16)10(14)8-6-7(12)2-3-9(8)13/h2-6,10H,14H2,1H3.
What are the key properties of (2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine?
(2,5-difluorophenyl)-(1-methylimidazol-2-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 (2,5-difluorophenyl)-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 63974752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).