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

C21H21ClN4O3 — CID 25250303

IUPACN-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESCOCCCN1C(=O)C(CC(=O)Nc2ccccc2Cl)n2c1nc1ccccc12
InChIInChI=1S/C21H21ClN4O3/c1-29-12-6-11-25-20(28)18(13-19(27)23-15-8-3-2-7-14(15)22)26-17-10-5-4-9-16(17)24-21(25)26/h2-5,7-10,18H,6,11-13H2,1H3,(H,23,27)
InChIKeyPFSDQNCOKBPWNG-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.64
Rot. Bonds7

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

N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 25250303) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID25250303
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC NameN-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESCOCCCN1C(=O)C(CC(=O)Nc2ccccc2Cl)n2c1nc1ccccc12
InChIInChI=1S/C21H21ClN4O3/c1-29-12-6-11-25-20(28)18(13-19(27)23-15-8-3-2-7-14(15)22)26-17-10-5-4-9-16(17)24-21(25)26/h2-5,7-10,18H,6,11-13H2,1H3,(H,23,27)
InChIKeyPFSDQNCOKBPWNG-UHFFFAOYSA-N
XLogP3.64
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.64
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-(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
N-(2-ethylphenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630784
N-(2-ethoxyphenyl)-2-[(1S)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630773
N-(4-fluorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25252347
N-(4-fluorophenyl)-2-[(1R)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 38094585
N-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630866
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-(4-acetamidophenyl)-2-[(1R)-3-butyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 29133916
N-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056960
N-(3-chloro-2-methylphenyl)-2-[2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250556
N-(2-fluorophenyl)-2-[2-oxo-3-(2-phenylethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832365

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 25250303) is N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is COCCCN1C(=O)C(CC(=O)Nc2ccccc2Cl)n2c1nc1ccccc12.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is PFSDQNCOKBPWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-29-12-6-11-25-20(28)18(13-19(27)23-15-8-3-2-7-14(15)22)26-17-10-5-4-9-16(17)24-21(25)26/h2-5,7-10,18H,6,11-13H2,1H3,(H,23,27).
What are the key properties of N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 412.88 g/mol, XLogP of 3.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 25250303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).