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

C20H20F3N5O3 — CID 11235899

IUPACN-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)NCCc1ccc2nc(NC(C)=O)[nH]c2c1
InChIInChI=1S/C20H20F3N5O3/c1-11(29)25-18-26-14-5-3-12(9-15(14)27-18)7-8-24-19(30)28-16-10-13(20(21,22)23)4-6-17(16)31-2/h3-6,9-10H,7-8H2,1-2H3,(H2,24,28,30)(H2,25,26,27,29)
InChIKeyJZJLHAWLPFNXMY-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.91
Rot. Bonds6

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

N-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide (PubChem CID 11235899) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is N-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
PubChem CID11235899
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC NameN-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
SMILESCOc1ccc(C(F)(F)F)cc1NC(=O)NCCc1ccc2nc(NC(C)=O)[nH]c2c1
InChIInChI=1S/C20H20F3N5O3/c1-11(29)25-18-26-14-5-3-12(9-15(14)27-18)7-8-24-19(30)28-16-10-13(20(21,22)23)4-6-17(16)31-2/h3-6,9-10H,7-8H2,1-2H3,(H2,24,28,30)(H2,25,26,27,29)
InChIKeyJZJLHAWLPFNXMY-UHFFFAOYSA-N
XLogP3.91
TPSA108.14 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide (CID 11235899) is N-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide is COc1ccc(C(F)(F)F)cc1NC(=O)NCCc1ccc2nc(NC(C)=O)[nH]c2c1.
What is the InChIKey of N-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The InChIKey is JZJLHAWLPFNXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-11(29)25-18-26-14-5-3-12(9-15(14)27-18)7-8-24-19(30)28-16-10-13(20(21,22)23)4-6-17(16)31-2/h3-6,9-10H,7-8H2,1-2H3,(H2,24,28,30)(H2,25,26,27,29).
What are the key properties of N-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
N-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide has a molecular weight of 435.41 g/mol, XLogP of 3.91, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[[2-methoxy-5-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide is sourced from PubChem (CID 11235899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).