N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide

C8H12FN3O — CID 157037880

IUPACN-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cncn1CCF
InChIInChI=1S/C8H12FN3O/c1-7(13)11-5-8-4-10-6-12(8)3-2-9/h4,6H,2-3,5H2,1H3,(H,11,13)
InChIKeyVCKXEBXDHDGJKR-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.49
Rot. Bonds4

About N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide

N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide (PubChem CID 157037880) has the molecular formula C8H12FN3O and a molecular weight of 185.20 g/mol. Its IUPAC name is N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide
PubChem CID157037880
Molecular FormulaC8H12FN3O
Molecular Weight185.20 g/mol
Exact Mass185.10
IUPAC NameN-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide
SMILESCC(=O)NCc1cncn1CCF
InChIInChI=1S/C8H12FN3O/c1-7(13)11-5-8-4-10-6-12(8)3-2-9/h4,6H,2-3,5H2,1H3,(H,11,13)
InChIKeyVCKXEBXDHDGJKR-UHFFFAOYSA-N
XLogP0.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
CID 15065556
N-methyl-N-[4-(5-methylimidazol-1-yl)but-2-ynyl]acetamide
CID 15065558
N-methyl-N-[5-(5-methylimidazol-1-yl)pent-3-yn-2-yl]acetamide
CID 15065560
1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]imidazolidin-2-one
CID 15065576
methyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 7164555
N,1-Dimethyl-1H-imidazole-4-methanamine
CID 21366440
(1-ethyl-1H-imidazol-5-yl)methanamine
CID 28063992
((1-methyl-1H-imidazol-5-yl)methyl)(propan-2-yl)amine
CID 59237459
ethyl[(1-methyl-1H-imidazol-5-yl)methyl]amine
CID 59746123
((1-ethyl-1H-imidazol-5-yl)methyl)(methyl)amine
CID 66118213
(1-ethyl-1H-imidazol-4-yl)methanamine
CID 82467725
N-butyl-4-methylimidazole-1-carboxamide
CID 44306450

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide?
The IUPAC name of N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide (CID 157037880) is N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide is CC(=O)NCc1cncn1CCF.
What is the InChIKey of N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide?
The InChIKey is VCKXEBXDHDGJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FN3O/c1-7(13)11-5-8-4-10-6-12(8)3-2-9/h4,6H,2-3,5H2,1H3,(H,11,13).
What are the key properties of N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide?
N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide has a molecular weight of 185.20 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-fluoroethyl)imidazol-4-yl]methyl]acetamide is sourced from PubChem (CID 157037880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).