2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone

C16H13FN2O2 — CID 103397259

IUPAC2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2cnc3ccccc32)c(F)c1
InChIInChI=1S/C16H13FN2O2/c1-21-11-6-7-12(13(17)8-11)16(20)9-19-10-18-14-4-2-3-5-15(14)19/h2-8,10H,9H2,1H3
InChIKeyXDRYGCBGXJKKKV-UHFFFAOYSA-N
MW284.29 g/mol
LogP3.07
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone

2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone (PubChem CID 103397259) has the molecular formula C16H13FN2O2 and a molecular weight of 284.29 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
PubChem CID103397259
Molecular FormulaC16H13FN2O2
Molecular Weight284.29 g/mol
Exact Mass284.10
IUPAC Name2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)Cn2cnc3ccccc32)c(F)c1
InChIInChI=1S/C16H13FN2O2/c1-21-11-6-7-12(13(17)8-11)16(20)9-19-10-18-14-4-2-3-5-15(14)19/h2-8,10H,9H2,1H3
InChIKeyXDRYGCBGXJKKKV-UHFFFAOYSA-N
XLogP3.07
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzimidazol-1-yl)-1-(2,4-difluorophenyl)ethanone
CID 43612592
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
CID 23967505
2-(benzimidazol-1-yl)-1-(5-bromo-2-fluorophenyl)ethanone
CID 105116406
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylethanone
CID 4524981
N-[2-(benzimidazol-1-yl)ethyl]-2,4-dimethoxybenzamide
CID 47069219
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
2-(benzimidazol-1-yl)-1-(3-bromo-4-methoxyphenyl)ethanone
CID 43612589
2-(benzimidazol-1-yl)-1-[4-(3-methoxybenzoyl)piperazin-1-yl]ethanone
CID 70756985
1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
CID 139217669
4-(benzimidazol-1-ylmethyl)-2-(2-fluoro-4-methoxyphenyl)-5-methyl-1,3-oxazole
CID 56756467
1-[[2-(benzimidazol-1-yl)acetyl]amino]-3-(3-methoxyphenyl)thiourea
CID 8659494
1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one
CID 163284683

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone (CID 103397259) is 2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone is COc1ccc(C(=O)Cn2cnc3ccccc32)c(F)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone?
The InChIKey is XDRYGCBGXJKKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O2/c1-21-11-6-7-12(13(17)8-11)16(20)9-19-10-18-14-4-2-3-5-15(14)19/h2-8,10H,9H2,1H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone?
2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone has a molecular weight of 284.29 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(2-fluoro-4-methoxyphenyl)ethanone is sourced from PubChem (CID 103397259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).