1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine

C20H22F2N4 — CID 71900678

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine
SMILESFC(F)n1ccnc1CN1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C20H22F2N4/c21-20(22)26-9-8-23-19(26)15-25-12-10-24(11-13-25)14-17-6-3-5-16-4-1-2-7-18(16)17/h1-9,20H,10-15H2
InChIKeyLYIWIKKYFATGOY-UHFFFAOYSA-N
MW356.42 g/mol
LogP3.75
Rot. Bonds5

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine (PubChem CID 71900678) has the molecular formula C20H22F2N4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine
PubChem CID71900678
Molecular FormulaC20H22F2N4
Molecular Weight356.42 g/mol
Exact Mass356.18
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine
SMILESFC(F)n1ccnc1CN1CCN(Cc2cccc3ccccc23)CC1
InChIInChI=1S/C20H22F2N4/c21-20(22)26-9-8-23-19(26)15-25-12-10-24(11-13-25)14-17-6-3-5-16-4-1-2-7-18(16)17/h1-9,20H,10-15H2
InChIKeyLYIWIKKYFATGOY-UHFFFAOYSA-N
XLogP3.75
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,4-bis(naphthalen-1-ylmethyl)piperazine
CID 4846171
1-[(3-chloro-1-benzothiophen-2-yl)methyl]-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine
CID 78828428
4-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-pyridin-4-ylquinazoline
CID 133276321
3-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]propan-1-ol
CID 111544146
[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 78832010
1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]butan-1-one
CID 166191537
(3S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-phenylpiperidin-3-amine
CID 124610098
1-(naphthalen-1-ylmethyl)-4-pyridin-3-ylpiperazine
CID 146025672
1-benzhydryl-4-(naphthalen-1-ylmethyl)piperazine
CID 3431056
3-amino-1-[4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;dihydrochloride
CID 119868000
1-(naphthalen-1-ylmethyl)-4-(pyridin-3-ylmethyl)piperazine
CID 770178
1-(5-chloro-2-methylphenyl)-4-[[1-(difluoromethyl)imidazol-2-yl]methyl]piperazine
CID 78828337

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine (CID 71900678) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine is FC(F)n1ccnc1CN1CCN(Cc2cccc3ccccc23)CC1.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine?
The InChIKey is LYIWIKKYFATGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N4/c21-20(22)26-9-8-23-19(26)15-25-12-10-24(11-13-25)14-17-6-3-5-16-4-1-2-7-18(16)17/h1-9,20H,10-15H2.
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine has a molecular weight of 356.42 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-4-(naphthalen-1-ylmethyl)piperazine is sourced from PubChem (CID 71900678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).