N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide

C25H28N6O2S — CID 4910865

IUPACN-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C25H28N6O2S/c1-29-23-11-10-20(28-34(32,33)21-7-3-2-4-8-21)19-22(23)27-25(29)12-14-30-15-17-31(18-16-30)24-9-5-6-13-26-24/h2-11,13,19,28H,12,14-18H2,1H3
InChIKeyUJDYQPCOMFUITI-UHFFFAOYSA-N
MW476.61 g/mol
LogP3.13
Rot. Bonds7

About N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide

N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide (PubChem CID 4910865) has the molecular formula C25H28N6O2S and a molecular weight of 476.61 g/mol. Its IUPAC name is N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
PubChem CID4910865
Molecular FormulaC25H28N6O2S
Molecular Weight476.61 g/mol
Exact Mass476.20
IUPAC NameN-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C25H28N6O2S/c1-29-23-11-10-20(28-34(32,33)21-7-3-2-4-8-21)19-22(23)27-25(29)12-14-30-15-17-31(18-16-30)24-9-5-6-13-26-24/h2-11,13,19,28H,12,14-18H2,1H3
InChIKeyUJDYQPCOMFUITI-UHFFFAOYSA-N
XLogP3.13
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.61
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-1-methylbenzimidazol-5-yl]benzenesulfonamide
CID 4890091
1-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea
CID 4902774
N-[1-methyl-2-[2-(2-oxopiperidin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17218688
4-methyl-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17244510
4-chloro-N-[1-methyl-2-[2-(2-oxo-1-pyridinyl)ethyl]benzimidazol-5-yl]benzenesulfonamide
CID 17218638
1-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]-3-phenylurea
CID 4886323
N-[1-methyl-2-[2-(4-phenylpiperazin-1-yl)ethyl]benzimidazol-5-yl]propanamide
CID 4886719
6-[(4-ethoxyphenyl)sulfonylamino]-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 46298271
4-methyl-N-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 16812324
6-(benzenesulfonamido)-2-(4-ethylpiperazin-1-yl)quinoline-4-carboxylic acid
CID 50773023
2-methyl-N-[1-methyl-2-[2-[4-(4-methylphthalazin-1-yl)piperazin-1-yl]ethyl]benzimidazol-5-yl]propanamide
CID 6416755
N-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113043896

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide (CID 4910865) is N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide is Cn1c(CCN2CCN(c3ccccn3)CC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is UJDYQPCOMFUITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2S/c1-29-23-11-10-20(28-34(32,33)21-7-3-2-4-8-21)19-22(23)27-25(29)12-14-30-15-17-31(18-16-30)24-9-5-6-13-26-24/h2-11,13,19,28H,12,14-18H2,1H3.
What are the key properties of N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide?
N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 476.61 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 4910865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).