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

C25H26N6O2 — CID 43854329

IUPAC2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CC1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)NCCc1ccccc1
InChIInChI=1S/C25H26N6O2/c32-23(27-12-11-19-7-2-1-3-8-19)17-22-24(33)30(15-6-14-29-16-13-26-18-29)25-28-20-9-4-5-10-21(20)31(22)25/h1-5,7-10,13,16,18,22H,6,11-12,14-15,17H2,(H,27,32)
InChIKeyKYXBJXZLPPPVLA-UHFFFAOYSA-N
MW442.52 g/mol
LogP2.96
Rot. Bonds9

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

2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide (PubChem CID 43854329) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is 2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
PubChem CID43854329
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC Name2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
SMILESO=C(CC1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)NCCc1ccccc1
InChIInChI=1S/C25H26N6O2/c32-23(27-12-11-19-7-2-1-3-8-19)17-22-24(33)30(15-6-14-29-16-13-26-18-29)25-28-20-9-4-5-10-21(20)31(22)25/h1-5,7-10,13,16,18,22H,6,11-12,14-15,17H2,(H,27,32)
InChIKeyKYXBJXZLPPPVLA-UHFFFAOYSA-N
XLogP2.96
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43854328
N-benzyl-2-(3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl)acetamide
CID 25251832
N-benzyl-2-[3-[2-(4-methoxyphenyl)ethyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43854164
2-[(1S)-3-[(1S,2R)-2-methylcyclohexyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide
CID 124813935
N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832365
2-[(1S)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-ethylphenyl)acetamide
CID 29264604
N-(4-acetamidophenyl)-2-[(1R)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 29133916
N-(3-methoxyphenyl)-2-[(1R)-2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 39819617
N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 38094585
1-(3-imidazol-1-ylpropyl)-3-(2-phenylethyl)thiourea
CID 4832222
4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
CID 90648227
2-(3-imidazol-1-ylpropyl)-3-oxo-N-(2-phenylethyl)-1H-isoindole-1-carboxamide
CID 10786515

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide (CID 43854329) is 2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide is O=C(CC1C(=O)N(CCCn2ccnc2)c2nc3ccccc3n21)NCCc1ccccc1.
What is the InChIKey of 2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
The InChIKey is KYXBJXZLPPPVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c32-23(27-12-11-19-7-2-1-3-8-19)17-22-24(33)30(15-6-14-29-16-13-26-18-29)25-28-20-9-4-5-10-21(20)31(22)25/h1-5,7-10,13,16,18,22H,6,11-12,14-15,17H2,(H,27,32).
What are the key properties of 2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide?
2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide has a molecular weight of 442.52 g/mol, XLogP of 2.96, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-imidazol-1-ylpropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 43854329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).