N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C21H21FN4O3 — CID 38094585

IUPACN-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)n2c1nc1ccccc12
InChIInChI=1S/C21H21FN4O3/c1-29-12-4-11-25-20(28)18(13-19(27)23-15-9-7-14(22)8-10-15)26-17-6-3-2-5-16(17)24-21(25)26/h2-3,5-10,18H,4,11-13H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyCRBUIZGDUMHNPT-GOSISDBHSA-N
MW396.42 g/mol
LogP3.13
Rot. Bonds7

About N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 38094585) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID38094585
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESCOCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)n2c1nc1ccccc12
InChIInChI=1S/C21H21FN4O3/c1-29-12-4-11-25-20(28)18(13-19(27)23-15-9-7-14(22)8-10-15)26-17-6-3-2-5-16(17)24-21(25)26/h2-3,5-10,18H,4,11-13H2,1H3,(H,23,27)/t18-/m1/s1
InChIKeyCRBUIZGDUMHNPT-GOSISDBHSA-N
XLogP3.13
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25252347
N-(1,3-benzodioxol-5-yl)-2-[(1S)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630800
N-(2-ethylphenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630784
N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250303
N-(2-ethoxyphenyl)-2-[(1S)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630773
N-(4-acetamidophenyl)-2-[(1R)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 29133916
N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250499
N-(2,3-dichlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250493
N-(3-chloro-2-methylphenyl)-2-[(1S)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630808
2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 29264604
N-(4-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832437
2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 31056559

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 38094585) is N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is COCCCN1C(=O)[C@@H](CC(=O)Nc2ccc(F)cc2)n2c1nc1ccccc12.
What is the InChIKey of N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is CRBUIZGDUMHNPT-GOSISDBHSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-29-12-4-11-25-20(28)18(13-19(27)23-15-9-7-14(22)8-10-15)26-17-6-3-2-5-16(17)24-21(25)26/h2-3,5-10,18H,4,11-13H2,1H3,(H,23,27)/t18-/m1/s1.
What are the key properties of N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 396.42 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 38094585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).