3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine

C14H17F2N3 — CID 79813479

IUPAC3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1ncc(-c2c(F)cccc2F)[nH]1
InChIInChI=1S/C14H17F2N3/c1-3-14(17,4-2)13-18-8-11(19-13)12-9(15)6-5-7-10(12)16/h5-8H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyIIDXEQSQWPRNOZ-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.33
Rot. Bonds4

About 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine

3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine (PubChem CID 79813479) has the molecular formula C14H17F2N3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
PubChem CID79813479
Molecular FormulaC14H17F2N3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
SMILESCCC(N)(CC)c1ncc(-c2c(F)cccc2F)[nH]1
InChIInChI=1S/C14H17F2N3/c1-3-14(17,4-2)13-18-8-11(19-13)12-9(15)6-5-7-10(12)16/h5-8H,3-4,17H2,1-2H3,(H,18,19)
InChIKeyIIDXEQSQWPRNOZ-UHFFFAOYSA-N
XLogP3.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
CID 79812866
3-[5-(3-bromo-4-fluorophenyl)-1H-imidazol-2-yl]pentan-3-amine
CID 79814671
3-[5-[2-(difluoromethoxy)phenyl]-1H-imidazol-2-yl]pentan-3-amine
CID 79814319
1-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]propan-1-amine
CID 43649904
3-(4-fluoro-1H-benzimidazol-2-yl)pentan-3-amine
CID 79806891
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pentan-2-amine
CID 60847502
2-[5-(2,4-difluorophenyl)-1H-imidazol-2-yl]butan-2-amine
CID 79811525
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]-N-methylpropan-1-amine
CID 54924865
2-(5-thiophen-2-yl-1H-imidazol-2-yl)butan-2-amine
CID 79811188
3-[(2,6-difluorophenyl)methyl]pentan-3-amine
CID 114931229
2-[5-(2-chlorophenyl)-1H-imidazol-2-yl]butan-2-amine
CID 79811408
3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 61324868

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine (CID 79813479) is 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine is CCC(N)(CC)c1ncc(-c2c(F)cccc2F)[nH]1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine?
The InChIKey is IIDXEQSQWPRNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3/c1-3-14(17,4-2)13-18-8-11(19-13)12-9(15)6-5-7-10(12)16/h5-8H,3-4,17H2,1-2H3,(H,18,19).
What are the key properties of 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine?
3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine has a molecular weight of 265.31 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1H-imidazol-2-yl]pentan-3-amine is sourced from PubChem (CID 79813479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).