1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole

C10H15F2N3O — CID 106938088

IUPAC1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole
SMILESFC(F)n1ccnc1COCC1CCNC1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-4-3-14-9(15)7-16-6-8-1-2-13-5-8/h3-4,8,10,13H,1-2,5-7H2
InChIKeyAKAUGBVWXLRWJI-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.40
Rot. Bonds5

About 1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole

1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole (PubChem CID 106938088) has the molecular formula C10H15F2N3O and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole.

Molecular Properties

Compound Name1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole
PubChem CID106938088
Molecular FormulaC10H15F2N3O
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole
SMILESFC(F)n1ccnc1COCC1CCNC1
InChIInChI=1S/C10H15F2N3O/c11-10(12)15-4-3-14-9(15)7-16-6-8-1-2-13-5-8/h3-4,8,10,13H,1-2,5-7H2
InChIKeyAKAUGBVWXLRWJI-UHFFFAOYSA-N
XLogP1.40
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[1-(difluoromethyl)imidazol-2-yl]methoxymethyl]cyclohexyl]methanamine
CID 106938434
2-(pyrrolidin-3-ylmethoxymethyl)pyrimidine
CID 62698828
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 103815917
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79717441
1-(difluoromethyl)-2-(methoxymethyl)imidazole
CID 156846999
(2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-methylpiperazine
CID 82713988
1-methyl-2-[2-(2-pyrrolidin-3-ylethoxy)ethyl]imidazole
CID 114796078
1-methyl-3-(pyrrolidin-3-ylmethoxymethyl)pyrazole
CID 82870045
2-chloro-5-[[(3S)-pyrrolidin-3-yl]methoxymethyl]-1,3-thiazole
CID 97163860
(3R)-3-(phenylmethoxymethyl)pyrrolidine
CID 26192483
(3S)-3-[(2,6-difluorophenyl)methoxymethyl]pyrrolidine
CID 86321771
4-[(1-propan-2-ylimidazol-2-yl)methyl]piperidine
CID 84734211

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole?
The IUPAC name of 1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole (CID 106938088) is 1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole.
What is the SMILES notation for 1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole?
The canonical SMILES for 1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole is FC(F)n1ccnc1COCC1CCNC1.
What is the InChIKey of 1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole?
The InChIKey is AKAUGBVWXLRWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O/c11-10(12)15-4-3-14-9(15)7-16-6-8-1-2-13-5-8/h3-4,8,10,13H,1-2,5-7H2.
What are the key properties of 1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole?
1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole has a molecular weight of 231.25 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2-(pyrrolidin-3-ylmethoxymethyl)imidazole is sourced from PubChem (CID 106938088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).