N-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide

C19H18F3N5O2 — CID 11418292

IUPACN-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(CCNC(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1
InChIInChI=1S/C19H18F3N5O2/c1-11(28)24-17-26-15-6-5-12(9-16(15)27-17)7-8-23-18(29)25-14-4-2-3-13(10-14)19(20,21)22/h2-6,9-10H,7-8H2,1H3,(H2,23,25,29)(H2,24,26,27,28)
InChIKeyKCDVXFDIZSOZEG-UHFFFAOYSA-N
MW405.38 g/mol
LogP3.90
Rot. Bonds5

About N-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide

N-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide (PubChem CID 11418292) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is N-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
PubChem CID11418292
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC NameN-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide
SMILESCC(=O)Nc1nc2ccc(CCNC(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1
InChIInChI=1S/C19H18F3N5O2/c1-11(28)24-17-26-15-6-5-12(9-16(15)27-17)7-8-23-18(29)25-14-4-2-3-13(10-14)19(20,21)22/h2-6,9-10H,7-8H2,1H3,(H2,23,25,29)(H2,24,26,27,28)
InChIKeyKCDVXFDIZSOZEG-UHFFFAOYSA-N
XLogP3.90
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The IUPAC name of N-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide (CID 11418292) is N-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide.
What is the SMILES notation for N-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The canonical SMILES for N-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide is CC(=O)Nc1nc2ccc(CCNC(=O)Nc3cccc(C(F)(F)F)c3)cc2[nH]1.
What is the InChIKey of N-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
The InChIKey is KCDVXFDIZSOZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-11(28)24-17-26-15-6-5-12(9-16(15)27-17)7-8-23-18(29)25-14-4-2-3-13(10-14)19(20,21)22/h2-6,9-10H,7-8H2,1H3,(H2,23,25,29)(H2,24,26,27,28).
What are the key properties of N-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide?
N-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide has a molecular weight of 405.38 g/mol, XLogP of 3.90, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]-1H-benzimidazol-2-yl]acetamide is sourced from PubChem (CID 11418292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).