3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide

C21H21F2N3O — CID 46139787

IUPAC3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1nccn1Cc1ccccc1F)C(=O)c1cccc(F)c1
InChIInChI=1S/C21H21F2N3O/c1-15(2)26(21(27)16-7-5-8-18(22)12-16)14-20-24-10-11-25(20)13-17-6-3-4-9-19(17)23/h3-12,15H,13-14H2,1-2H3
InChIKeyPJXQCGADLQPPAF-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.26
Rot. Bonds6

About 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide

3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide (PubChem CID 46139787) has the molecular formula C21H21F2N3O and a molecular weight of 369.42 g/mol. Its IUPAC name is 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide
PubChem CID46139787
Molecular FormulaC21H21F2N3O
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide
SMILESCC(C)N(Cc1nccn1Cc1ccccc1F)C(=O)c1cccc(F)c1
InChIInChI=1S/C21H21F2N3O/c1-15(2)26(21(27)16-7-5-8-18(22)12-16)14-20-24-10-11-25(20)13-17-6-3-4-9-19(17)23/h3-12,15H,13-14H2,1-2H3
InChIKeyPJXQCGADLQPPAF-UHFFFAOYSA-N
XLogP4.26
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819196
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide
CID 24712684
N-[[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylfuran-2-carboxamide
CID 24712897
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
N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109170485
3-fluoro-N-[(1-methylpyrrol-2-yl)methyl]-N-propan-2-ylbenzamide
CID 42759842
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
CID 42818844
N-[(3-aminophenyl)methyl]-3-fluoro-N-propan-2-ylbenzamide
CID 43460200
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819195
N-ethyl-3-fluoro-N-propan-2-ylbenzamide;methane
CID 142548394
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 42818627

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide (CID 46139787) is 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide is CC(C)N(Cc1nccn1Cc1ccccc1F)C(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide?
The InChIKey is PJXQCGADLQPPAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O/c1-15(2)26(21(27)16-7-5-8-18(22)12-16)14-20-24-10-11-25(20)13-17-6-3-4-9-19(17)23/h3-12,15H,13-14H2,1-2H3.
What are the key properties of 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide?
3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide has a molecular weight of 369.42 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 46139787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).