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

C23H18ClN5O2 — CID 28630866

IUPACN-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1Cl
InChIInChI=1S/C23H18ClN5O2/c24-16-8-1-2-9-17(16)26-21(30)13-20-22(31)28(14-15-7-5-6-12-25-15)23-27-18-10-3-4-11-19(18)29(20)23/h1-12,20H,13-14H2,(H,26,30)/t20-/m1/s1
InChIKeyMLKGXNKOCGIHKX-HXUWFJFHSA-N
MW431.88 g/mol
LogP4.20
Rot. Bonds5

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

N-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 28630866) has the molecular formula C23H18ClN5O2 and a molecular weight of 431.88 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID28630866
Molecular FormulaC23H18ClN5O2
Molecular Weight431.88 g/mol
Exact Mass431.11
IUPAC NameN-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1Cl
InChIInChI=1S/C23H18ClN5O2/c24-16-8-1-2-9-17(16)26-21(30)13-20-22(31)28(14-15-7-5-6-12-25-15)23-27-18-10-3-4-11-19(18)29(20)23/h1-12,20H,13-14H2,(H,26,30)/t20-/m1/s1
InChIKeyMLKGXNKOCGIHKX-HXUWFJFHSA-N
XLogP4.20
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630904
N-(2-ethoxyphenyl)-2-[2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250545
N-(3,4-dimethylphenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056906
N-(2-chlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250303
N-(3-chloro-2-methylphenyl)-2-[2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250556
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-(2,3-dichlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250493
N-(2-fluorophenyl)-2-[(1S)-3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056593
N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832460
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-fluorophenyl)-2-[(1S)-3-(furan-2-ylmethyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 38094621
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-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 28630866) is N-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is O=C(C[C@@H]1C(=O)N(Cc2ccccn2)c2nc3ccccc3n21)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is MLKGXNKOCGIHKX-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H18ClN5O2/c24-16-8-1-2-9-17(16)26-21(30)13-20-22(31)28(14-15-7-5-6-12-25-15)23-27-18-10-3-4-11-19(18)29(20)23/h1-12,20H,13-14H2,(H,26,30)/t20-/m1/s1.
What are the key properties of N-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
N-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 431.88 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 28630866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).