N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine

C11H12F2N4 — CID 43111957

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESFC(F)n1ccnc1CNCc1cccnc1
InChIInChI=1S/C11H12F2N4/c12-11(13)17-5-4-16-10(17)8-15-7-9-2-1-3-14-6-9/h1-6,11,15H,7-8H2
InChIKeyCTGCAXAFIDNBOQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP1.96
Rot. Bonds5

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine (PubChem CID 43111957) has the molecular formula C11H12F2N4 and a molecular weight of 238.24 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
PubChem CID43111957
Molecular FormulaC11H12F2N4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine
SMILESFC(F)n1ccnc1CNCc1cccnc1
InChIInChI=1S/C11H12F2N4/c12-11(13)17-5-4-16-10(17)8-15-7-9-2-1-3-14-6-9/h1-6,11,15H,7-8H2
InChIKeyCTGCAXAFIDNBOQ-UHFFFAOYSA-N
XLogP1.96
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(4-fluorophenyl)methanamine
CID 43111962
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-quinolin-8-ylmethanamine
CID 78978768
1-pyridin-4-yl-N-(pyridin-3-ylmethyl)methanamine;dihydrochloride
CID 163329891
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-1-amine
CID 115641541
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-(2,3-dihydro-1-benzofuran-2-yl)methanamine
CID 61004039
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylsulfinylethanamine
CID 115641707
2,6-dibromo-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]aniline
CID 107258242
2-cyclobutyl-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethanamine
CID 115690184
3-[[[1-(difluoromethyl)imidazol-2-yl]methylamino]methyl]cyclobutan-1-ol
CID 66006553
N-[(3-propan-2-ylimidazol-4-yl)methyl]-1-pyridin-3-ylmethanamine
CID 66131281
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-pyrrolidin-1-ylethanamine
CID 60721196

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine (CID 43111957) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine is FC(F)n1ccnc1CNCc1cccnc1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine?
The InChIKey is CTGCAXAFIDNBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N4/c12-11(13)17-5-4-16-10(17)8-15-7-9-2-1-3-14-6-9/h1-6,11,15H,7-8H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine has a molecular weight of 238.24 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 43111957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).