N-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide

C21H16F3N3O2S — CID 59614663

IUPACN-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(-n2c(C(F)(F)F)nc3cc(CO)ccc32)cc1
InChIInChI=1S/C21H16F3N3O2S/c22-21(23,24)20-26-17-10-13(12-28)3-8-18(17)27(20)15-6-4-14(5-7-15)25-19(29)11-16-2-1-9-30-16/h1-10,28H,11-12H2,(H,25,29)
InChIKeyBJUNSURBFQBKLB-UHFFFAOYSA-N
MW431.44 g/mol
LogP4.78
Rot. Bonds5

About N-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide

N-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide (PubChem CID 59614663) has the molecular formula C21H16F3N3O2S and a molecular weight of 431.44 g/mol. Its IUPAC name is N-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide
PubChem CID59614663
Molecular FormulaC21H16F3N3O2S
Molecular Weight431.44 g/mol
Exact Mass431.09
IUPAC NameN-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)Nc1ccc(-n2c(C(F)(F)F)nc3cc(CO)ccc32)cc1
InChIInChI=1S/C21H16F3N3O2S/c22-21(23,24)20-26-17-10-13(12-28)3-8-18(17)27(20)15-6-4-14(5-7-15)25-19(29)11-16-2-1-9-30-16/h1-10,28H,11-12H2,(H,25,29)
InChIKeyBJUNSURBFQBKLB-UHFFFAOYSA-N
XLogP4.78
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.44
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide (CID 59614663) is N-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)Nc1ccc(-n2c(C(F)(F)F)nc3cc(CO)ccc32)cc1.
What is the InChIKey of N-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide?
The InChIKey is BJUNSURBFQBKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O2S/c22-21(23,24)20-26-17-10-13(12-28)3-8-18(17)27(20)15-6-4-14(5-7-15)25-19(29)11-16-2-1-9-30-16/h1-10,28H,11-12H2,(H,25,29).
What are the key properties of N-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide?
N-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide has a molecular weight of 431.44 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(hydroxymethyl)-2-(trifluoromethyl)benzimidazol-1-yl]phenyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 59614663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).