2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

C21H15F3N4O2 — CID 30867745

IUPAC2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1c(-c2cccnc2)nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)30-16-9-7-15(8-10-16)26-19(29)13-28-18-6-2-1-5-17(18)27-20(28)14-4-3-11-25-12-14/h1-12H,13H2,(H,26,29)
InChIKeyCAVKUZRYRUXGRH-UHFFFAOYSA-N
MW412.37 g/mol
LogP4.64
Rot. Bonds5

About 2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide

2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 30867745) has the molecular formula C21H15F3N4O2 and a molecular weight of 412.37 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID30867745
Molecular FormulaC21H15F3N4O2
Molecular Weight412.37 g/mol
Exact Mass412.11
IUPAC Name2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESO=C(Cn1c(-c2cccnc2)nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C21H15F3N4O2/c22-21(23,24)30-16-9-7-15(8-10-16)26-19(29)13-28-18-6-2-1-5-17(18)27-20(28)14-4-3-11-25-12-14/h1-12H,13H2,(H,26,29)
InChIKeyCAVKUZRYRUXGRH-UHFFFAOYSA-N
XLogP4.64
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033040
N-(4-fluorophenyl)-2-(2-phenylbenzimidazol-1-yl)acetamide
CID 17032697
N-(4-methoxyphenyl)-2-[2-(3-methylphenyl)benzimidazol-1-yl]acetamide
CID 17032844
ethyl 2-(2-pyridin-3-ylbenzimidazol-1-yl)acetate
CID 16644397
N-(4-tert-butylphenyl)-2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetamide
CID 84571294
N-(3,4-dimethylphenyl)-2-[2-(4-methoxyphenyl)benzimidazol-1-yl]acetamide
CID 17033048
2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7879323
4-[[2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]acetyl]amino]benzoic acid
CID 84572954
2-[2-(4-tert-butylphenyl)benzimidazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 84572790
2-[4-(pyridine-3-carbonyl)piperazin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 51578372
2-(benzimidazolo[1,2-c]quinazolin-6-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5133969
N-(3-methoxyphenyl)-2-[2-(4-methylphenyl)benzimidazol-1-yl]acetamide
CID 17033082

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 30867745) is 2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is O=C(Cn1c(-c2cccnc2)nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is CAVKUZRYRUXGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O2/c22-21(23,24)30-16-9-7-15(8-10-16)26-19(29)13-28-18-6-2-1-5-17(18)27-20(28)14-4-3-11-25-12-14/h1-12H,13H2,(H,26,29).
What are the key properties of 2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 412.37 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-ylbenzimidazol-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 30867745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).