N-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

C23H23ClN4O3 — CID 31056728

IUPACN-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1Cl
InChIInChI=1S/C23H23ClN4O3/c1-14-8-9-15(11-17(14)24)25-21(29)12-20-22(30)27(13-16-5-4-10-31-16)23-26-18-6-2-3-7-19(18)28(20)23/h2-3,6-9,11,16,20H,4-5,10,12-13H2,1H3,(H,25,29)/t16-,20+/m0/s1
InChIKeySWQXAVPISJUWDA-OXJNMPFZSA-N
MW438.92 g/mol
LogP4.09
Rot. Bonds5

About N-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide

N-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 31056728) has the molecular formula C23H23ClN4O3 and a molecular weight of 438.92 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID31056728
Molecular FormulaC23H23ClN4O3
Molecular Weight438.92 g/mol
Exact Mass438.15
IUPAC NameN-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)C[C@@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1Cl
InChIInChI=1S/C23H23ClN4O3/c1-14-8-9-15(11-17(14)24)25-21(29)12-20-22(30)27(13-16-5-4-10-31-16)23-26-18-6-2-3-7-19(18)28(20)23/h2-3,6-9,11,16,20H,4-5,10,12-13H2,1H3,(H,25,29)/t16-,20+/m0/s1
InChIKeySWQXAVPISJUWDA-OXJNMPFZSA-N
XLogP4.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.92
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methylphenyl)-2-[2-oxo-3-(oxolan-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250506
N-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056626
N-(3-methoxyphenyl)-2-[(1R)-2-oxo-3-[[(2R)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056639
N-naphthalen-1-yl-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056792
N-(3,4-dimethylphenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056906
2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 31056559
2-[(1S,4S)-2-benzyl-1-methyl-3-oxo-1,4-dihydropyrazino[1,2-a]benzimidazol-4-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 92667236
N-(3-chloro-4-methylphenyl)-2-[[5-oxo-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 51141479
N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250499
2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide
CID 29264618
N-(4-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832437
N-(3-chloro-4-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 42956710

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 31056728) is N-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is Cc1ccc(NC(=O)C[C@@H]2C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4n32)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is SWQXAVPISJUWDA-OXJNMPFZSA-N. The full InChI is InChI=1S/C23H23ClN4O3/c1-14-8-9-15(11-17(14)24)25-21(29)12-20-22(30)27(13-16-5-4-10-31-16)23-26-18-6-2-3-7-19(18)28(20)23/h2-3,6-9,11,16,20H,4-5,10,12-13H2,1H3,(H,25,29)/t16-,20+/m0/s1.
What are the key properties of N-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
N-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 438.92 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 31056728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).