N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide

C22H22N6O5S — CID 20865905

IUPACN-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCN(CC(=O)N1CCn2c1nc1ccccc12)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H22N6O5S/c1-24(13-19(29)28-11-10-27-18-7-5-4-6-16(18)23-21(27)28)34(32,33)14-8-9-17-15(12-14)20(30)26(3)22(31)25(17)2/h4-9,12H,10-11,13H2,1-3H3
InChIKeyVMNKVQOALMKIJR-UHFFFAOYSA-N
MW482.52 g/mol
LogP0.25
Rot. Bonds4

About N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide

N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 20865905) has the molecular formula C22H22N6O5S and a molecular weight of 482.52 g/mol. Its IUPAC name is N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound NameN-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID20865905
Molecular FormulaC22H22N6O5S
Molecular Weight482.52 g/mol
Exact Mass482.14
IUPAC NameN-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide
SMILESCN(CC(=O)N1CCn2c1nc1ccccc12)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C22H22N6O5S/c1-24(13-19(29)28-11-10-27-18-7-5-4-6-16(18)23-21(27)28)34(32,33)14-8-9-17-15(12-14)20(30)26(3)22(31)25(17)2/h4-9,12H,10-11,13H2,1-3H3
InChIKeyVMNKVQOALMKIJR-UHFFFAOYSA-N
XLogP0.25
TPSA119.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.52
LogP ≤ 50.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide with MolForge

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Related Compounds

N-[2-(4-benzylpiperidin-1-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide
CID 20865951
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-dipropylacetamide
CID 20865921
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N,N-bis(2-methylpropyl)acetamide
CID 20865947
N-cyclooctyl-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]acetamide
CID 20865917
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 20865952
4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)-N,N-diethylbenzenesulfonamide
CID 25345819
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 20865974
1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonic acid
CID 22642050
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 20865972
N-(4-chloro-1,1-dioxothiolan-3-yl)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]acetamide
CID 53298120
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-(5-nitro-1,3-thiazol-2-yl)acetamide
CID 20865946
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonyl-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 46256226

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide (CID 20865905) is N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide is CN(CC(=O)N1CCn2c1nc1ccccc12)S(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C.
What is the InChIKey of N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is VMNKVQOALMKIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O5S/c1-24(13-19(29)28-11-10-27-18-7-5-4-6-16(18)23-21(27)28)34(32,33)14-8-9-17-15(12-14)20(30)26(3)22(31)25(17)2/h4-9,12H,10-11,13H2,1-3H3.
What are the key properties of N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide?
N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 482.52 g/mol, XLogP of 0.25, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-2-oxoethyl]-N,1,3-trimethyl-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 20865905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).