N-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

C20H15F3N4O3S — CID 43050543

IUPACN-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1
InChIInChI=1S/C20H15F3N4O3S/c21-20(22,23)12-5-6-15-14(9-12)25-19(27(15)11-13-3-1-7-30-13)26-17(28)10-24-18(29)16-4-2-8-31-16/h1-9H,10-11H2,(H,24,29)(H,25,26,28)
InChIKeyZBRLGTPBIGWNSR-UHFFFAOYSA-N
MW448.43 g/mol
LogP4.13
Rot. Bonds6

About N-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 43050543) has the molecular formula C20H15F3N4O3S and a molecular weight of 448.43 g/mol. Its IUPAC name is N-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID43050543
Molecular FormulaC20H15F3N4O3S
Molecular Weight448.43 g/mol
Exact Mass448.08
IUPAC NameN-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESO=C(CNC(=O)c1cccs1)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1
InChIInChI=1S/C20H15F3N4O3S/c21-20(22,23)12-5-6-15-14(9-12)25-19(27(15)11-13-3-1-7-30-13)26-17(28)10-24-18(29)16-4-2-8-31-16/h1-9H,10-11H2,(H,24,29)(H,25,26,28)
InChIKeyZBRLGTPBIGWNSR-UHFFFAOYSA-N
XLogP4.13
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.43
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide (CID 43050543) is N-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is O=C(CNC(=O)c1cccs1)Nc1nc2cc(C(F)(F)F)ccc2n1Cc1ccco1.
What is the InChIKey of N-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is ZBRLGTPBIGWNSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O3S/c21-20(22,23)12-5-6-15-14(9-12)25-19(27(15)11-13-3-1-7-30-13)26-17(28)10-24-18(29)16-4-2-8-31-16/h1-9H,10-11H2,(H,24,29)(H,25,26,28).
What are the key properties of N-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 448.43 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(furan-2-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 43050543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).