2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine

C15H21FN4 — CID 83124915

IUPAC2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine
SMILESCC(C)CC(CN)Cc1ncc(-c2ccc(F)cn2)[nH]1
InChIInChI=1S/C15H21FN4/c1-10(2)5-11(7-17)6-15-19-9-14(20-15)13-4-3-12(16)8-18-13/h3-4,8-11H,5-7,17H2,1-2H3,(H,19,20)
InChIKeyYBUXQDJXIMKDTQ-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.77
Rot. Bonds6

About 2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine

2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine (PubChem CID 83124915) has the molecular formula C15H21FN4 and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine
PubChem CID83124915
Molecular FormulaC15H21FN4
Molecular Weight276.36 g/mol
Exact Mass276.18
IUPAC Name2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine
SMILESCC(C)CC(CN)Cc1ncc(-c2ccc(F)cn2)[nH]1
InChIInChI=1S/C15H21FN4/c1-10(2)5-11(7-17)6-15-19-9-14(20-15)13-4-3-12(16)8-18-13/h3-4,8-11H,5-7,17H2,1-2H3,(H,19,20)
InChIKeyYBUXQDJXIMKDTQ-UHFFFAOYSA-N
XLogP2.77
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine
CID 83125480
2-methyl-3-(5-pyridin-2-yl-1H-imidazol-2-yl)propan-1-amine
CID 116877075
3-[5-(2,5-difluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116877050
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]propan-1-amine
CID 112585762
3-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-2-methylpropan-1-amine
CID 116877072
3-[2-(aminomethyl)-4-methylpentyl]-4H-1,2,4-oxadiazol-5-one
CID 135409381
2-[4-(5-fluoro-2-pyridinyl)-5-methyl-1H-imidazol-2-yl]ethanamine
CID 112585736
2-methyl-3-(5-pyridin-4-yl-1H-imidazol-2-yl)propan-1-amine
CID 116877077
2-[[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072670
3-[5-(4-fluorophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 80544451
1-(5-fluoro-2-pyridinyl)-3-methylbutan-2-amine
CID 63197343
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-amine
CID 104794588

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine?
The IUPAC name of 2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine (CID 83124915) is 2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine.
What is the SMILES notation for 2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine?
The canonical SMILES for 2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine is CC(C)CC(CN)Cc1ncc(-c2ccc(F)cn2)[nH]1.
What is the InChIKey of 2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine?
The InChIKey is YBUXQDJXIMKDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4/c1-10(2)5-11(7-17)6-15-19-9-14(20-15)13-4-3-12(16)8-18-13/h3-4,8-11H,5-7,17H2,1-2H3,(H,19,20).
What are the key properties of 2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine?
2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine has a molecular weight of 276.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]methyl]-4-methylpentan-1-amine is sourced from PubChem (CID 83124915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).