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

C12H13F2N3 — CID 55114176

IUPAC1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCc2ccc(F)cc2F)[nH]1
InChIInChI=1S/C12H13F2N3/c1-8-16-7-11(17-8)6-15-5-9-2-3-10(13)4-12(9)14/h2-4,7,15H,5-6H2,1H3,(H,16,17)
InChIKeyVTDFVQSPRGBJFR-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.29
Rot. Bonds4

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

1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine (PubChem CID 55114176) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
PubChem CID55114176
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine
SMILESCc1ncc(CNCc2ccc(F)cc2F)[nH]1
InChIInChI=1S/C12H13F2N3/c1-8-16-7-11(17-8)6-15-5-9-2-3-10(13)4-12(9)14/h2-4,7,15H,5-6H2,1H3,(H,16,17)
InChIKeyVTDFVQSPRGBJFR-UHFFFAOYSA-N
XLogP2.29
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine?
The IUPAC name of 1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine (CID 55114176) is 1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine.
What is the SMILES notation for 1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine?
The canonical SMILES for 1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine is Cc1ncc(CNCc2ccc(F)cc2F)[nH]1.
What is the InChIKey of 1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine?
The InChIKey is VTDFVQSPRGBJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-8-16-7-11(17-8)6-15-5-9-2-3-10(13)4-12(9)14/h2-4,7,15H,5-6H2,1H3,(H,16,17).
What are the key properties of 1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine?
1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine has a molecular weight of 237.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]methanamine is sourced from PubChem (CID 55114176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).