3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide

C21H21F2N3O2 — CID 42819196

IUPAC3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1nccn1Cc1ccccc1F)C(=O)c1cccc(F)c1
InChIInChI=1S/C21H21F2N3O2/c1-28-12-11-26(21(27)16-6-4-7-18(22)13-16)15-20-24-9-10-25(20)14-17-5-2-3-8-19(17)23/h2-10,13H,11-12,14-15H2,1H3
InChIKeySIZRELMUWHSSQD-UHFFFAOYSA-N
MW385.41 g/mol
LogP3.50
Rot. Bonds8

About 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide

3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide (PubChem CID 42819196) has the molecular formula C21H21F2N3O2 and a molecular weight of 385.41 g/mol. Its IUPAC name is 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
PubChem CID42819196
Molecular FormulaC21H21F2N3O2
Molecular Weight385.41 g/mol
Exact Mass385.16
IUPAC Name3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
SMILESCOCCN(Cc1nccn1Cc1ccccc1F)C(=O)c1cccc(F)c1
InChIInChI=1S/C21H21F2N3O2/c1-28-12-11-26(21(27)16-6-4-7-18(22)13-16)15-20-24-9-10-25(20)14-17-5-2-3-8-19(17)23/h2-10,13H,11-12,14-15H2,1H3
InChIKeySIZRELMUWHSSQD-UHFFFAOYSA-N
XLogP3.50
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-ethyl-1-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methoxyethyl)urea
CID 42819710
3-methoxy-N-(2-methoxyethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819848
N-(2-methoxyethyl)-N-[[1-[(2-methylphenyl)methyl]imidazol-2-yl]methyl]propanamide
CID 42819438
N-ethyl-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropanamide
CID 42819212
3-ethyl-1-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-1-(2-methylpropyl)urea
CID 42819600
3-fluoro-N-[[1-[(4-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-morpholin-4-ylethyl)benzamide
CID 42819336
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]cyclopropanecarboxamide
CID 42819440
N-[(3-benzyl-2-benzylsulfonylimidazol-4-yl)methyl]-3-fluoro-N-(2-methoxyethyl)benzamide
CID 42825484
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide
CID 24712684

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
The IUPAC name of 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide (CID 42819196) is 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
The canonical SMILES for 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide is COCCN(Cc1nccn1Cc1ccccc1F)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
The InChIKey is SIZRELMUWHSSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O2/c1-28-12-11-26(21(27)16-6-4-7-18(22)13-16)15-20-24-9-10-25(20)14-17-5-2-3-8-19(17)23/h2-10,13H,11-12,14-15H2,1H3.
What are the key properties of 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide?
3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide has a molecular weight of 385.41 g/mol, XLogP of 3.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide is sourced from PubChem (CID 42819196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).