4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine

C14H26F2N4 — CID 43244226

IUPAC4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1nccn1C(F)F
InChIInChI=1S/C14H26F2N4/c1-4-19(5-2)9-6-7-12(3)18-11-13-17-8-10-20(13)14(15)16/h8,10,12,14,18H,4-7,9,11H2,1-3H3
InChIKeyOXXLGVILXINAPK-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.88
Rot. Bonds10

About 4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine

4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine (PubChem CID 43244226) has the molecular formula C14H26F2N4 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine.

Molecular Properties

Compound Name4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine
PubChem CID43244226
Molecular FormulaC14H26F2N4
Molecular Weight288.39 g/mol
Exact Mass288.21
IUPAC Name4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine
SMILESCCN(CC)CCCC(C)NCc1nccn1C(F)F
InChIInChI=1S/C14H26F2N4/c1-4-19(5-2)9-6-7-12(3)18-11-13-17-8-10-20(13)14(15)16/h8,10,12,14,18H,4-7,9,11H2,1-3H3
InChIKeyOXXLGVILXINAPK-UHFFFAOYSA-N
XLogP2.88
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine?
The IUPAC name of 4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine (CID 43244226) is 4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine.
What is the SMILES notation for 4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine?
The canonical SMILES for 4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine is CCN(CC)CCCC(C)NCc1nccn1C(F)F.
What is the InChIKey of 4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine?
The InChIKey is OXXLGVILXINAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F2N4/c1-4-19(5-2)9-6-7-12(3)18-11-13-17-8-10-20(13)14(15)16/h8,10,12,14,18H,4-7,9,11H2,1-3H3.
What are the key properties of 4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine?
4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine has a molecular weight of 288.39 g/mol, XLogP of 2.88, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1-N,1-N-diethylpentane-1,4-diamine is sourced from PubChem (CID 43244226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).