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

C22H21ClN4O3 — CID 31056626

IUPACN-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(Cl)c1
InChIInChI=1S/C22H21ClN4O3/c23-14-5-3-6-15(11-14)24-20(28)12-19-21(29)26(13-16-7-4-10-30-16)22-25-17-8-1-2-9-18(17)27(19)22/h1-3,5-6,8-9,11,16,19H,4,7,10,12-13H2,(H,24,28)/t16-,19-/m0/s1
InChIKeyUULYMYQMBGKBBQ-LPHOPBHVSA-N
MW424.89 g/mol
LogP3.79
Rot. Bonds5

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

N-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 31056626) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID31056626
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC NameN-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESO=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(Cl)c1
InChIInChI=1S/C22H21ClN4O3/c23-14-5-3-6-15(11-14)24-20(28)12-19-21(29)26(13-16-7-4-10-30-16)22-25-17-8-1-2-9-18(17)27(19)22/h1-3,5-6,8-9,11,16,19H,4,7,10,12-13H2,(H,24,28)/t16-,19-/m0/s1
InChIKeyUULYMYQMBGKBBQ-LPHOPBHVSA-N
XLogP3.79
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.79
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-chloro-4-methylphenyl)-2-[(1R)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056728
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-chlorophenyl)-2-(oxolan-2-yl)acetamide
CID 47209133
2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide
CID 29264618
2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-fluorophenyl)acetamide
CID 31056825
N-(3-chlorophenyl)-2-[(5S)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-2-phenylimino-1,3-thiazolidin-5-yl]acetamide
CID 6597360
2-[(1R)-3-cyclopentyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(3-methylphenyl)acetamide
CID 31056821
N-(3,4-dimethylphenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056906
N-(3-chlorophenyl)-2-[[5-cyclopropyl-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 3215001
N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31088164

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 31056626) is N-(3-chlorophenyl)-2-[(1S)-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-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is O=C(C[C@H]1C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3n21)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is UULYMYQMBGKBBQ-LPHOPBHVSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c23-14-5-3-6-15(11-14)24-20(28)12-19-21(29)26(13-16-7-4-10-30-16)22-25-17-8-1-2-9-18(17)27(19)22/h1-3,5-6,8-9,11,16,19H,4,7,10,12-13H2,(H,24,28)/t16-,19-/m0/s1.
What are the key properties of N-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
N-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 424.89 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[(1S)-2-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 31056626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).