N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide

C23H24N6O3S2 — CID 20862311

IUPACN-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=C(C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C23H24N6O3S2/c30-22(29-13-12-28-19-6-2-1-4-17(19)25-23(28)29)16-10-8-15(9-11-16)14-24-34(31,32)20-7-3-5-18-21(20)27-33-26-18/h1-7,15-16,24H,8-14H2
InChIKeyAUZOEQJAQXGINP-UHFFFAOYSA-N
MW496.62 g/mol
LogP3.17
Rot. Bonds5

About N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide

N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 20862311) has the molecular formula C23H24N6O3S2 and a molecular weight of 496.62 g/mol. Its IUPAC name is N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID20862311
Molecular FormulaC23H24N6O3S2
Molecular Weight496.62 g/mol
Exact Mass496.14
IUPAC NameN-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
SMILESO=C(C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C23H24N6O3S2/c30-22(29-13-12-28-19-6-2-1-4-17(19)25-23(28)29)16-10-8-15(9-11-16)14-24-34(31,32)20-7-3-5-18-21(20)27-33-26-18/h1-7,15-16,24H,8-14H2
InChIKeyAUZOEQJAQXGINP-UHFFFAOYSA-N
XLogP3.17
TPSA110.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.62
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide (CID 20862311) is N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide is O=C(C1CCC(CNS(=O)(=O)c2cccc3nsnc23)CC1)N1CCn2c1nc1ccccc12.
What is the InChIKey of N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is AUZOEQJAQXGINP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3S2/c30-22(29-13-12-28-19-6-2-1-4-17(19)25-23(28)29)16-10-8-15(9-11-16)14-24-34(31,32)20-7-3-5-18-21(20)27-33-26-18/h1-7,15-16,24H,8-14H2.
What are the key properties of N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide?
N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 496.62 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(1,2-dihydroimidazo[1,2-a]benzimidazole-3-carbonyl)cyclohexyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 20862311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).