2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide

C16H18FN5O — CID 91829331

IUPAC2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
SMILESCCc1nccn1CC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H18FN5O/c1-3-15-18-6-7-22(15)10-16(23)21(2)9-14-19-12-5-4-11(17)8-13(12)20-14/h4-8H,3,9-10H2,1-2H3,(H,19,20)
InChIKeyIBEAUQHMHLOXGG-UHFFFAOYSA-N
MW315.35 g/mol
LogP2.12
Rot. Bonds5

About 2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide

2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide (PubChem CID 91829331) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
PubChem CID91829331
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
SMILESCCc1nccn1CC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1
InChIInChI=1S/C16H18FN5O/c1-3-15-18-6-7-22(15)10-16(23)21(2)9-14-19-12-5-4-11(17)8-13(12)20-14/h4-8H,3,9-10H2,1-2H3,(H,19,20)
InChIKeyIBEAUQHMHLOXGG-UHFFFAOYSA-N
XLogP2.12
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)acetamide
CID 137094516
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methyl-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 56874874
2-(1,3-dimethyl-2,5-dioxoimidazolidin-4-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
CID 70784686
N-ethyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]ethanamine
CID 82335854
N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-3-(2-methylimidazol-1-yl)propanamide
CID 77080225
3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methylurea
CID 122572700
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[[(3S)-1-propylpyrrolidin-3-yl]methyl]urea
CID 125446054
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-(1-pyridin-3-ylpentyl)urea
CID 122566085
1-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-1-methyl-3-[3-(1-methylpyrazol-4-yl)propyl]urea
CID 122566230
3-(6-fluoro-1H-benzimidazol-2-yl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 70742540
N-butyl-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]butan-1-amine
CID 82335865
2-[1-[2-(dimethylamino)ethyl]-3-(2-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide
CID 45174442

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide (CID 91829331) is 2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide is CCc1nccn1CC(=O)N(C)Cc1nc2ccc(F)cc2[nH]1.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide?
The InChIKey is IBEAUQHMHLOXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-3-15-18-6-7-22(15)10-16(23)21(2)9-14-19-12-5-4-11(17)8-13(12)20-14/h4-8H,3,9-10H2,1-2H3,(H,19,20).
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide?
2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide has a molecular weight of 315.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-[(6-fluoro-1H-benzimidazol-2-yl)methyl]-N-methylacetamide is sourced from PubChem (CID 91829331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).