N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide

C21H18F2N4O — CID 86860184

IUPACN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)cc2ccccc21)NCc1nccn1C(F)F
InChIInChI=1S/C21H18F2N4O/c22-21(23)26-11-10-24-19(26)13-25-20(28)14-27-17-9-5-4-8-16(17)12-18(27)15-6-2-1-3-7-15/h1-12,21H,13-14H2,(H,25,28)
InChIKeyNDGNXFSIIGRNJC-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.22
Rot. Bonds6

About N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide

N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide (PubChem CID 86860184) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide
PubChem CID86860184
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccc2)cc2ccccc21)NCc1nccn1C(F)F
InChIInChI=1S/C21H18F2N4O/c22-21(23)26-11-10-24-19(26)13-25-20(28)14-27-17-9-5-4-8-16(17)12-18(27)15-6-2-1-3-7-15/h1-12,21H,13-14H2,(H,25,28)
InChIKeyNDGNXFSIIGRNJC-UHFFFAOYSA-N
XLogP4.22
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide?
The IUPAC name of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide (CID 86860184) is N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide.
What is the SMILES notation for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide?
The canonical SMILES for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide is O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCc1nccn1C(F)F.
What is the InChIKey of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide?
The InChIKey is NDGNXFSIIGRNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O/c22-21(23)26-11-10-24-19(26)13-25-20(28)14-27-17-9-5-4-8-16(17)12-18(27)15-6-2-1-3-7-15/h1-12,21H,13-14H2,(H,25,28).
What are the key properties of N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide?
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide has a molecular weight of 380.40 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(2-phenylindol-1-yl)acetamide is sourced from PubChem (CID 86860184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).