N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide

C15H16FN3O — CID 115963996

IUPACN-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc2c1CCCC2)Nc1ccccc1F
InChIInChI=1S/C15H16FN3O/c16-11-5-1-2-6-12(11)18-15(20)9-19-10-17-13-7-3-4-8-14(13)19/h1-2,5-6,10H,3-4,7-9H2,(H,18,20)
InChIKeyOBNVTNARGUBWPR-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.54
Rot. Bonds3

About N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide

N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide (PubChem CID 115963996) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
PubChem CID115963996
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC NameN-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
SMILESO=C(Cn1cnc2c1CCCC2)Nc1ccccc1F
InChIInChI=1S/C15H16FN3O/c16-11-5-1-2-6-12(11)18-15(20)9-19-10-17-13-7-3-4-8-14(13)19/h1-2,5-6,10H,3-4,7-9H2,(H,18,20)
InChIKeyOBNVTNARGUBWPR-UHFFFAOYSA-N
XLogP2.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-phenyl-2-pyridinyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 138700717
N-carbamoyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 116626262
N-(2-fluorophenyl)-2-[1-(2-hydroxyethyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 7422916
ethyl 2-[3-phenyl-5-[[2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetyl]amino]pyrazol-1-yl]acetate
CID 166205571
N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 146131196
2-(5,6-dimethyl-4-oxo-7-phenylpyrrolo[2,3-d]pyrimidin-3-yl)-N-(2-fluorophenyl)acetamide
CID 20931996
2-(3-benzyl-7-oxotriazolo[4,5-d]pyrimidin-6-yl)-N-(2-fluorophenyl)acetamide
CID 7111072
6-[2-(2-fluoroanilino)-2-oxoethyl]-7-oxo-[1,2]thiazolo[4,5-d]pyrimidine-3-carboxamide
CID 53161938
N-(2-fluorophenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119919928
2-(benzimidazol-1-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 34060886
N-(2-methoxyethyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide
CID 115944319
2-(3-carbamothioyl-1,2,4-triazol-1-yl)-N-(2-fluorophenyl)acetamide
CID 62949422

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide (CID 115963996) is N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide is O=C(Cn1cnc2c1CCCC2)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
The InChIKey is OBNVTNARGUBWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c16-11-5-1-2-6-12(11)18-15(20)9-19-10-17-13-7-3-4-8-14(13)19/h1-2,5-6,10H,3-4,7-9H2,(H,18,20).
What are the key properties of N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide?
N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide has a molecular weight of 273.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 115963996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).