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

C11H15F2N5 — CID 55049038

IUPACN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1nccn1C(F)F
InChIInChI=1S/C11H15F2N5/c1-2-14-7-9-15-3-5-17(9)8-10-16-4-6-18(10)11(12)13/h3-6,11,14H,2,7-8H2,1H3
InChIKeySGNUDDOIHNBXMQ-UHFFFAOYSA-N
MW255.27 g/mol
LogP1.63
Rot. Bonds6

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

N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine (PubChem CID 55049038) has the molecular formula C11H15F2N5 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine
PubChem CID55049038
Molecular FormulaC11H15F2N5
Molecular Weight255.27 g/mol
Exact Mass255.13
IUPAC NameN-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1Cc1nccn1C(F)F
InChIInChI=1S/C11H15F2N5/c1-2-14-7-9-15-3-5-17(9)8-10-16-4-6-18(10)11(12)13/h3-6,11,14H,2,7-8H2,1H3
InChIKeySGNUDDOIHNBXMQ-UHFFFAOYSA-N
XLogP1.63
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine (CID 55049038) is N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1Cc1nccn1C(F)F.
What is the InChIKey of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine?
The InChIKey is SGNUDDOIHNBXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N5/c1-2-14-7-9-15-3-5-17(9)8-10-16-4-6-18(10)11(12)13/h3-6,11,14H,2,7-8H2,1H3.
What are the key properties of N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine?
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine has a molecular weight of 255.27 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 55049038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).