N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide

C16H20FN3O — CID 24712684

IUPACN-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1nccn1Cc1ccccc1F
InChIInChI=1S/C16H20FN3O/c1-12(2)16(21)19(3)11-15-18-8-9-20(15)10-13-6-4-5-7-14(13)17/h4-9,12H,10-11H2,1-3H3
InChIKeyPMICABRWUROSOB-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.68
Rot. Bonds5

About N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide

N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide (PubChem CID 24712684) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide
PubChem CID24712684
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC NameN-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide
SMILESCC(C)C(=O)N(C)Cc1nccn1Cc1ccccc1F
InChIInChI=1S/C16H20FN3O/c1-12(2)16(21)19(3)11-15-18-8-9-20(15)10-13-6-4-5-7-14(13)17/h4-9,12H,10-11H2,1-3H3
InChIKeyPMICABRWUROSOB-UHFFFAOYSA-N
XLogP2.68
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-propan-2-ylbenzamide
CID 46139787
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819195
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-4-methoxy-N-(2-methylpropyl)benzenesulfonamide
CID 42818627
3-fluoro-N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 42819196
2-acetamido-N-[(2-fluorophenyl)methyl]-N-methylpropanamide
CID 78769021
2-(1-benzylimidazol-2-yl)-N,N-dimethylacetamide
CID 54563123
N-[[1-[(2-chlorophenyl)methyl]imidazol-2-yl]methyl]-2-methoxy-N-propan-2-ylacetamide
CID 42818844
3-chloro-1-[(2-fluorophenyl)methyl]pyrazin-2-one
CID 114561555
2-amino-N-[(2-fluorophenyl)methyl]-N-methylbutanamide
CID 43649648
2-[2-[[2-[(propan-2-ylamino)methyl]imidazol-1-yl]methyl]phenyl]acetic acid
CID 115463174

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide?
The IUPAC name of N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide (CID 24712684) is N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide.
What is the SMILES notation for N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide?
The canonical SMILES for N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide is CC(C)C(=O)N(C)Cc1nccn1Cc1ccccc1F.
What is the InChIKey of N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide?
The InChIKey is PMICABRWUROSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-12(2)16(21)19(3)11-15-18-8-9-20(15)10-13-6-4-5-7-14(13)17/h4-9,12H,10-11H2,1-3H3.
What are the key properties of N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide?
N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide has a molecular weight of 289.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-fluorophenyl)methyl]imidazol-2-yl]methyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 24712684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).