1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

C11H17F2N3O2 — CID 104704912

IUPAC1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2nccn2C(F)F)CCOC1
InChIInChI=1S/C11H17F2N3O2/c1-17-11(2-5-18-8-11)7-14-6-9-15-3-4-16(9)10(12)13/h3-4,10,14H,2,5-8H2,1H3
InChIKeyWIBXKCWGTGZYPU-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.17
Rot. Bonds6

About 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine

1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (PubChem CID 104704912) has the molecular formula C11H17F2N3O2 and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
PubChem CID104704912
Molecular FormulaC11H17F2N3O2
Molecular Weight261.27 g/mol
Exact Mass261.13
IUPAC Name1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
SMILESCOC1(CNCc2nccn2C(F)F)CCOC1
InChIInChI=1S/C11H17F2N3O2/c1-17-11(2-5-18-8-11)7-14-6-9-15-3-4-16(9)10(12)13/h3-4,10,14H,2,5-8H2,1H3
InChIKeyWIBXKCWGTGZYPU-UHFFFAOYSA-N
XLogP1.17
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-1-(4-trimethylsilylphenyl)methanamine
CID 103438062
1-ethyl-N-[(3-methoxyoxolan-3-yl)methyl]imidazol-2-amine
CID 104762687
N-[(3-methoxyoxolan-3-yl)methyl]-1-(3,4,5-trifluorophenyl)methanamine
CID 104705112
[(3R)-3-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]oxolan-3-yl]methanol
CID 164631690
N-[(3-methoxyoxolan-3-yl)methyl]-1-(2-methyltetrazol-5-yl)methanamine
CID 107042678
N-[(3-methoxyoxolan-3-yl)methyl]-1-[4-(2-methylpropyl)phenyl]methanamine
CID 104705116
1-(1,5-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113443313
2-[[(3-methoxyoxolan-3-yl)methylamino]methyl]phenol
CID 113443332
1-(5-methoxy-1,3-dimethylpyrazol-4-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104704877
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 113450199
1-(2-tert-butyl-1,3-thiazol-5-yl)-N-[(3-methoxyoxolan-3-yl)methyl]methanamine
CID 104705070
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-methylcyclopentan-1-amine
CID 61364614

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The IUPAC name of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine (CID 104704912) is 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The canonical SMILES for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is COC1(CNCc2nccn2C(F)F)CCOC1.
What is the InChIKey of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
The InChIKey is WIBXKCWGTGZYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3O2/c1-17-11(2-5-18-8-11)7-14-6-9-15-3-4-16(9)10(12)13/h3-4,10,14H,2,5-8H2,1H3.
What are the key properties of 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine?
1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine has a molecular weight of 261.27 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)imidazol-2-yl]-N-[(3-methoxyoxolan-3-yl)methyl]methanamine is sourced from PubChem (CID 104704912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).