N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide

C19H23N5O4S2 — CID 15142713

IUPACN-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide
SMILESCN(CCN1CCn2c1nc1ccccc12)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H23N5O4S2/c1-22(30(27,28)16-9-7-15(8-10-16)21-29(2,25)26)11-12-23-13-14-24-18-6-4-3-5-17(18)20-19(23)24/h3-10,21H,11-14H2,1-2H3
InChIKeyHXRLOFWFSFUTCT-UHFFFAOYSA-N
MW449.56 g/mol
LogP1.55
Rot. Bonds7

About N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide

N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide (PubChem CID 15142713) has the molecular formula C19H23N5O4S2 and a molecular weight of 449.56 g/mol. Its IUPAC name is N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide
PubChem CID15142713
Molecular FormulaC19H23N5O4S2
Molecular Weight449.56 g/mol
Exact Mass449.12
IUPAC NameN-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide
SMILESCN(CCN1CCn2c1nc1ccccc12)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1
InChIInChI=1S/C19H23N5O4S2/c1-22(30(27,28)16-9-7-15(8-10-16)21-29(2,25)26)11-12-23-13-14-24-18-6-4-3-5-17(18)20-19(23)24/h3-10,21H,11-14H2,1-2H3
InChIKeyHXRLOFWFSFUTCT-UHFFFAOYSA-N
XLogP1.55
TPSA104.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide?
The IUPAC name of N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide (CID 15142713) is N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide?
The canonical SMILES for N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide is CN(CCN1CCn2c1nc1ccccc12)S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1.
What is the InChIKey of N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide?
The InChIKey is HXRLOFWFSFUTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S2/c1-22(30(27,28)16-9-7-15(8-10-16)21-29(2,25)26)11-12-23-13-14-24-18-6-4-3-5-17(18)20-19(23)24/h3-10,21H,11-14H2,1-2H3.
What are the key properties of N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide?
N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide has a molecular weight of 449.56 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethyl]-4-(methanesulfonamido)-N-methylbenzenesulfonamide is sourced from PubChem (CID 15142713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).