N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

C18H14F3N5OS — CID 39045252

IUPACN-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C18H14F3N5OS/c19-18(20,21)17-23-13-5-1-2-6-14(13)25(17)11-16(27)24-15-7-8-22-26(15)10-12-4-3-9-28-12/h1-9H,10-11H2,(H,24,27)
InChIKeyNUUNKQPESVJTEX-UHFFFAOYSA-N
MW405.41 g/mol
LogP4.00
Rot. Bonds5

About N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (PubChem CID 39045252) has the molecular formula C18H14F3N5OS and a molecular weight of 405.41 g/mol. Its IUPAC name is N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
PubChem CID39045252
Molecular FormulaC18H14F3N5OS
Molecular Weight405.41 g/mol
Exact Mass405.09
IUPAC NameN-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccnn1Cc1cccs1
InChIInChI=1S/C18H14F3N5OS/c19-18(20,21)17-23-13-5-1-2-6-14(13)25(17)11-16(27)24-15-7-8-22-26(15)10-12-4-3-9-28-12/h1-9H,10-11H2,(H,24,27)
InChIKeyNUUNKQPESVJTEX-UHFFFAOYSA-N
XLogP4.00
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide (CID 39045252) is N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccnn1Cc1cccs1.
What is the InChIKey of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
The InChIKey is NUUNKQPESVJTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N5OS/c19-18(20,21)17-23-13-5-1-2-6-14(13)25(17)11-16(27)24-15-7-8-22-26(15)10-12-4-3-9-28-12/h1-9H,10-11H2,(H,24,27).
What are the key properties of N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide?
N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide has a molecular weight of 405.41 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 39045252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).