2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide

C21H17FN4O — CID 53063086

IUPAC2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1c(-c2ccncc2)nc2ccccc21)c1ccccc1F
InChIInChI=1S/C21H17FN4O/c22-17-6-2-1-5-16(17)21(27)24-13-14-26-19-8-4-3-7-18(19)25-20(26)15-9-11-23-12-10-15/h1-12H,13-14H2,(H,24,27)
InChIKeyQMEPBLHYFRKQTE-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.67
Rot. Bonds5

About 2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide

2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide (PubChem CID 53063086) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide
PubChem CID53063086
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide
SMILESO=C(NCCn1c(-c2ccncc2)nc2ccccc21)c1ccccc1F
InChIInChI=1S/C21H17FN4O/c22-17-6-2-1-5-16(17)21(27)24-13-14-26-19-8-4-3-7-18(19)25-20(26)15-9-11-23-12-10-15/h1-12H,13-14H2,(H,24,27)
InChIKeyQMEPBLHYFRKQTE-UHFFFAOYSA-N
XLogP3.67
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-N-[2-[2-(2-methylbenzimidazol-1-yl)ethylamino]-2-oxoethyl]benzamide
CID 17395811
1-(2-fluorophenyl)-3-[2-(2-phenylbenzimidazol-1-yl)ethyl]urea
CID 46287172
4-methyl-N-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]benzamide
CID 53063067
1-(2-fluorophenyl)-3-[2-[2-(4-methylphenyl)benzimidazol-1-yl]ethyl]urea
CID 46287017
N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]propane-1-sulfonamide
CID 53063270
1-[2-[2-(4-fluorophenyl)benzimidazol-1-yl]ethyl]-3-propan-2-ylurea
CID 46286966
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007726
2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983003
2-fluoro-N-[2-(3-methyl-2-oxobenzimidazol-1-yl)ethyl]benzamide
CID 110396250
3-(2-pyridin-4-ylbenzimidazol-1-yl)propanethioamide
CID 82149829
2-fluoro-N-(2-pyridin-4-ylethyl)benzamide
CID 935612
2-fluoro-N-[[1-[(2-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007755

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide (CID 53063086) is 2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide is O=C(NCCn1c(-c2ccncc2)nc2ccccc21)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide?
The InChIKey is QMEPBLHYFRKQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c22-17-6-2-1-5-16(17)21(27)24-13-14-26-19-8-4-3-7-18(19)25-20(26)15-9-11-23-12-10-15/h1-12H,13-14H2,(H,24,27).
What are the key properties of 2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide?
2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide has a molecular weight of 360.39 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-(2-pyridin-4-ylbenzimidazol-1-yl)ethyl]benzamide is sourced from PubChem (CID 53063086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).