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

C24H20ClN5O2 — CID 31056960

IUPACN-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21
InChIInChI=1S/C24H20ClN5O2/c1-15-17(25)7-4-9-18(15)27-22(31)12-21-23(32)29(14-16-6-5-11-26-13-16)24-28-19-8-2-3-10-20(19)30(21)24/h2-11,13,21H,12,14H2,1H3,(H,27,31)/t21-/m1/s1
InChIKeyTZEAFKOGRLUWSK-OAQYLSRUSA-N
MW445.91 g/mol
LogP4.51
Rot. Bonds5

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

N-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (PubChem CID 31056960) has the molecular formula C24H20ClN5O2 and a molecular weight of 445.91 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
PubChem CID31056960
Molecular FormulaC24H20ClN5O2
Molecular Weight445.91 g/mol
Exact Mass445.13
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
SMILESCc1c(Cl)cccc1NC(=O)C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21
InChIInChI=1S/C24H20ClN5O2/c1-15-17(25)7-4-9-18(15)27-22(31)12-21-23(32)29(14-16-6-5-11-26-13-16)24-28-19-8-2-3-10-20(19)30(21)24/h2-11,13,21H,12,14H2,1H3,(H,27,31)/t21-/m1/s1
InChIKeyTZEAFKOGRLUWSK-OAQYLSRUSA-N
XLogP4.51
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.91
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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-[(1S)-3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630808
N-(3-nitrophenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31088164
N-(2-fluorophenyl)-2-[(1S)-3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 31056593
N-(2-chlorophenyl)-2-[(1R)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630866
N-(2-ethylphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832460
2-[(1S)-3-benzyl-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-(4-methylphenyl)acetamide
CID 31056559
2-[(1R)-3-[(3-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]-N-phenylacetamide
CID 29264618
N-(2,3-dichlorophenyl)-2-[3-(3-methoxypropyl)-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250493
N-naphthalen-1-yl-2-[(1S)-2-oxo-3-(pyridin-2-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 28630904
N-(4-fluorophenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 25250499
N-(4-methoxyphenyl)-2-[3-[(4-methylphenyl)methyl]-2-oxo-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide
CID 43832437

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide (CID 31056960) is N-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is Cc1c(Cl)cccc1NC(=O)C[C@@H]1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
The InChIKey is TZEAFKOGRLUWSK-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H20ClN5O2/c1-15-17(25)7-4-9-18(15)27-22(31)12-21-23(32)29(14-16-6-5-11-26-13-16)24-28-19-8-2-3-10-20(19)30(21)24/h2-11,13,21H,12,14H2,1H3,(H,27,31)/t21-/m1/s1.
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide has a molecular weight of 445.91 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-2-[(1R)-2-oxo-3-(pyridin-3-ylmethyl)-1H-imidazo[1,2-a]benzimidazol-1-yl]acetamide is sourced from PubChem (CID 31056960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).