2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide

C22H18FN3O — CID 17032358

IUPAC2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C22H18FN3O/c23-17-10-12-18(13-11-17)24-22(27)15-26-20-9-5-4-8-19(20)25-21(26)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)
InChIKeyYINYWOXJBPCOPJ-UHFFFAOYSA-N
MW359.40 g/mol
LogP4.40
Rot. Bonds5

About 2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide

2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide (PubChem CID 17032358) has the molecular formula C22H18FN3O and a molecular weight of 359.40 g/mol. Its IUPAC name is 2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
PubChem CID17032358
Molecular FormulaC22H18FN3O
Molecular Weight359.40 g/mol
Exact Mass359.14
IUPAC Name2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide
SMILESO=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccc(F)cc1
InChIInChI=1S/C22H18FN3O/c23-17-10-12-18(13-11-17)24-22(27)15-26-20-9-5-4-8-19(20)25-21(26)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27)
InChIKeyYINYWOXJBPCOPJ-UHFFFAOYSA-N
XLogP4.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[2-[(4-methoxyphenyl)methyl]benzimidazol-1-yl]acetamide
CID 17032599
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
2-(2-benzylbenzimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 17032346
N-(4-fluorophenyl)-2-[2-(naphthalen-1-yloxymethyl)benzimidazol-1-yl]acetamide
CID 17032265
N-(4-fluorophenyl)-2-[2-(2-phenylethenyl)benzimidazol-1-yl]acetamide
CID 4582397
2-[1-(2-anilino-2-oxoethyl)benzimidazol-2-yl]-N-methylacetamide
CID 1153553
N-[[1-[2-(4-fluoroanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17029514
2-benzyl-1-[(4-fluorophenyl)methyl]benzimidazole
CID 709541
3-(2-benzylbenzimidazol-1-yl)-2-oxopropanoic acid
CID 22464938
N-phenyl-2-[2-(thiophen-2-ylmethyl)benzimidazol-1-yl]acetamide
CID 19242930
2-[2-(hydroxymethyl)benzimidazol-1-yl]-N-(4-phenylmethoxyphenyl)acetamide
CID 99139728
2-(2-benzylbenzimidazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 42536578

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide (CID 17032358) is 2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide is O=C(Cn1c(Cc2ccccc2)nc2ccccc21)Nc1ccc(F)cc1.
What is the InChIKey of 2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide?
The InChIKey is YINYWOXJBPCOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O/c23-17-10-12-18(13-11-17)24-22(27)15-26-20-9-5-4-8-19(20)25-21(26)14-16-6-2-1-3-7-16/h1-13H,14-15H2,(H,24,27).
What are the key properties of 2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide?
2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide has a molecular weight of 359.40 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylbenzimidazol-1-yl)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 17032358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).