1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine

C11H18F2N4 — CID 63263806

IUPAC1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2nccn2C(F)F)C1
InChIInChI=1S/C11H18F2N4/c1-14-6-9-2-4-16(7-9)8-10-15-3-5-17(10)11(12)13/h3,5,9,11,14H,2,4,6-8H2,1H3
InChIKeyXPHCUJVNBDWQBF-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.32
Rot. Bonds5

About 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine

1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine (PubChem CID 63263806) has the molecular formula C11H18F2N4 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
PubChem CID63263806
Molecular FormulaC11H18F2N4
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2nccn2C(F)F)C1
InChIInChI=1S/C11H18F2N4/c1-14-6-9-2-4-16(7-9)8-10-15-3-5-17(10)11(12)13/h3,5,9,11,14H,2,4,6-8H2,1H3
InChIKeyXPHCUJVNBDWQBF-UHFFFAOYSA-N
XLogP1.32
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-N-methylmethanamine;dihydrochloride
CID 119922574
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-3-yl]methyl]cyclopropanamine
CID 63848303
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]methyl]-2-methylpropan-1-amine
CID 63848611
(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine
CID 124610098
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidine-4-carboxamide
CID 167843932
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
CID 120704064
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]morpholin-2-yl]methanol
CID 113251773
N-[[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63848659
N-methyl-1-[1-[(3-propan-2-ylimidazol-4-yl)methyl]pyrrolidin-3-yl]methanamine
CID 66164216
1-(1-benzylpyrrolidin-3-yl)-N-methylmethanamine
CID 4660832
1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263347
[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperidin-4-yl]-(4-fluorophenyl)methanol
CID 111109189

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine (CID 63263806) is 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine is CNCC1CCN(Cc2nccn2C(F)F)C1.
What is the InChIKey of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine?
The InChIKey is XPHCUJVNBDWQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N4/c1-14-6-9-2-4-16(7-9)8-10-15-3-5-17(10)11(12)13/h3,5,9,11,14H,2,4,6-8H2,1H3.
What are the key properties of 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine?
1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine has a molecular weight of 244.29 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]-N-methylmethanamine is sourced from PubChem (CID 63263806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).