N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine

C16H18F3N3 — CID 71920109

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine
SMILESFc1ccccc1CN(Cc1nccn1C(F)F)C1CCC1
InChIInChI=1S/C16H18F3N3/c17-14-7-2-1-4-12(14)10-21(13-5-3-6-13)11-15-20-8-9-22(15)16(18)19/h1-2,4,7-9,13,16H,3,5-6,10-11H2
InChIKeySKOSDGNKMULBAS-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.97
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine (PubChem CID 71920109) has the molecular formula C16H18F3N3 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine
PubChem CID71920109
Molecular FormulaC16H18F3N3
Molecular Weight309.33 g/mol
Exact Mass309.15
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine
SMILESFc1ccccc1CN(Cc1nccn1C(F)F)C1CCC1
InChIInChI=1S/C16H18F3N3/c17-14-7-2-1-4-12(14)10-21(13-5-3-6-13)11-15-20-8-9-22(15)16(18)19/h1-2,4,7-9,13,16H,3,5-6,10-11H2
InChIKeySKOSDGNKMULBAS-UHFFFAOYSA-N
XLogP3.97
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973927
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 103815917
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-propylpiperidin-4-amine;dihydrochloride
CID 119933016
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716
N-[(2-fluorophenyl)methyl]-N-(quinolin-8-ylmethyl)cyclopropanamine
CID 55503066
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylazetidin-3-amine
CID 66184805
2-[cyclopentyl-[(2-fluorophenyl)methyl]amino]acetonitrile
CID 62048932
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-(2-fluorophenyl)propane-2-sulfonamide
CID 75441699
N'-benzyl-N'-[[1-(difluoromethyl)imidazol-2-yl]methyl]ethane-1,2-diamine
CID 104859070
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2,6-difluoroaniline
CID 43142893
N-[(2-fluorophenyl)methyl]-N-(2-pyridin-4-ylethyl)cyclopropanamine
CID 86909109
N-[[2-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]methyl]cyclopropanamine
CID 60883294

Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine (CID 71920109) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine is Fc1ccccc1CN(Cc1nccn1C(F)F)C1CCC1.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine?
The InChIKey is SKOSDGNKMULBAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3/c17-14-7-2-1-4-12(14)10-21(13-5-3-6-13)11-15-20-8-9-22(15)16(18)19/h1-2,4,7-9,13,16H,3,5-6,10-11H2.
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine has a molecular weight of 309.33 g/mol, XLogP of 3.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-[(2-fluorophenyl)methyl]cyclobutanamine is sourced from PubChem (CID 71920109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).