N-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide

C22H25F3N6O3 — CID 11155829

IUPACN-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
SMILESCNCCOc1ccc(C(F)(F)F)cc1NC(=O)NCCc1ccc2nc(NC(C)=O)[nH]c2c1
InChIInChI=1S/C22H25F3N6O3/c1-13(32)28-20-29-16-5-3-14(11-17(16)30-20)7-8-27-21(33)31-18-12-15(22(23,24)25)4-6-19(18)34-10-9-26-2/h3-6,11-12,26H,7-10H2,1-2H3,(H2,27,31,33)(H2,28,29,30,32)
InChIKeyWVNJAJZDJSJLER-UHFFFAOYSA-N
MW478.48 g/mol
LogP3.50
Rot. Bonds9

About N-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide

N-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide (PubChem CID 11155829) has the molecular formula C22H25F3N6O3 and a molecular weight of 478.48 g/mol. Its IUPAC name is N-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
PubChem CID11155829
Molecular FormulaC22H25F3N6O3
Molecular Weight478.48 g/mol
Exact Mass478.19
IUPAC NameN-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
SMILESCNCCOc1ccc(C(F)(F)F)cc1NC(=O)NCCc1ccc2nc(NC(C)=O)[nH]c2c1
InChIInChI=1S/C22H25F3N6O3/c1-13(32)28-20-29-16-5-3-14(11-17(16)30-20)7-8-27-21(33)31-18-12-15(22(23,24)25)4-6-19(18)34-10-9-26-2/h3-6,11-12,26H,7-10H2,1-2H3,(H2,27,31,33)(H2,28,29,30,32)
InChIKeyWVNJAJZDJSJLER-UHFFFAOYSA-N
XLogP3.50
TPSA120.17 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 53.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 699923
CID 699923
CID 724128
CID 724128
CID 10141033
CID 10141033
CID 10166498
CID 10166498
CID 11153928
CID 11153928
CID 11188955
CID 11188955
CID 11281523
CID 11281523
CID 16665072
CID 16665072
CID 9840672
CID 9840672
CID 674471
CID 674471
CID 2583301
CID 2583301
CID 671013
CID 671013

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide (CID 11155829) is N-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide is CNCCOc1ccc(C(F)(F)F)cc1NC(=O)NCCc1ccc2nc(NC(C)=O)[nH]c2c1.
What is the InChIKey of N-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The InChIKey is WVNJAJZDJSJLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O3/c1-13(32)28-20-29-16-5-3-14(11-17(16)30-20)7-8-27-21(33)31-18-12-15(22(23,24)25)4-6-19(18)34-10-9-26-2/h3-6,11-12,26H,7-10H2,1-2H3,(H2,27,31,33)(H2,28,29,30,32).
What are the key properties of N-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
N-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide has a molecular weight of 478.48 g/mol, XLogP of 3.50, 9 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide is sourced from PubChem (CID 11155829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).