N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C25H21FN4O2 — CID 43832365

IUPACN-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1F
InChIInChI=1S/C25H21FN4O2/c26-18-10-4-5-11-19(18)27-23(31)16-22-24(32)29(15-14-17-8-2-1-3-9-17)25-28-20-12-6-7-13-21(20)30(22)25/h1-13,22H,14-16H2,(H,27,31)
InChIKeyMXJHJUNVQRZVAL-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.33
Rot. Bonds6

About N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 43832365) has the molecular formula C25H21FN4O2 and a molecular weight of 428.47 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID43832365
Molecular FormulaC25H21FN4O2
Molecular Weight428.47 g/mol
Exact Mass428.16
IUPAC NameN-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1F
InChIInChI=1S/C25H21FN4O2/c26-18-10-4-5-11-19(18)27-23(31)16-22-24(32)29(15-14-17-8-2-1-3-9-17)25-28-20-12-6-7-13-21(20)30(22)25/h1-13,22H,14-16H2,(H,27,31)
InChIKeyMXJHJUNVQRZVAL-UHFFFAOYSA-N
XLogP4.33
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-2-[(1S)-3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056593
N-(2-fluorophenyl)-2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832462
N-(2-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 38094621
N-(3-methoxyphenyl)-2-[(1R)-2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 39819617
N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43854164
2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 31056559
N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250303
N-(2-ethylphenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630784
N-benzyl-2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 25251832
N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832460
2-[3-(2-morpholin-4-ylethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 25252358
2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 29264604

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 43832365) is N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is MXJHJUNVQRZVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O2/c26-18-10-4-5-11-19(18)27-23(31)16-22-24(32)29(15-14-17-8-2-1-3-9-17)25-28-20-12-6-7-13-21(20)30(22)25/h1-13,22H,14-16H2,(H,27,31).
What are the key properties of N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 428.47 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 43832365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).