N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide

C17H22FN3O — CID 42819212

IUPACN-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide
SMILESCCN(Cc1nccn1Cc1ccccc1F)C(=O)C(C)C
InChIInChI=1S/C17H22FN3O/c1-4-20(17(22)13(2)3)12-16-19-9-10-21(16)11-14-7-5-6-8-15(14)18/h5-10,13H,4,11-12H2,1-3H3
InChIKeyWSRJZKSWYVWLHF-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.08
Rot. Bonds6

About N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide

N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide (PubChem CID 42819212) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide
PubChem CID42819212
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC NameN-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide
SMILESCCN(Cc1nccn1Cc1ccccc1F)C(=O)C(C)C
InChIInChI=1S/C17H22FN3O/c1-4-20(17(22)13(2)3)12-16-19-9-10-21(16)11-14-7-5-6-8-15(14)18/h5-10,13H,4,11-12H2,1-3H3
InChIKeyWSRJZKSWYVWLHF-UHFFFAOYSA-N
XLogP3.08
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide
CID 24712684
3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819600
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819195
3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 46139787
3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819196
1-ethyl-1-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]-3-propylurea
CID 24712336
N-ethyl-4-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]benzamide
CID 42819344
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 42818627
N-(2-methoxyethyl)-3-methyl-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]butanamide
CID 42819437
N-(2-methoxyethyl)-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 42819438
4-[(2-ethylimidazol-1-yl)methyl]-3-fluorobenzoic acid
CID 63072890
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
CID 42818844

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide?
The IUPAC name of N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide (CID 42819212) is N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide.
What is the SMILES notation for N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide?
The canonical SMILES for N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide is CCN(Cc1nccn1Cc1ccccc1F)C(=O)C(C)C.
What is the InChIKey of N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide?
The InChIKey is WSRJZKSWYVWLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-4-20(17(22)13(2)3)12-16-19-9-10-21(16)11-14-7-5-6-8-15(14)18/h5-10,13H,4,11-12H2,1-3H3.
What are the key properties of N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide?
N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide has a molecular weight of 303.38 g/mol, XLogP of 3.08, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide is sourced from PubChem (CID 42819212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).