N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide

C20H24N4O2S — CID 4905543

IUPACN-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C20H24N4O2S/c1-23-19-10-9-16(22-27(25,26)17-7-3-2-4-8-17)15-18(19)21-20(23)11-14-24-12-5-6-13-24/h2-4,7-10,15,22H,5-6,11-14H2,1H3
InChIKeyVHWRNRAZZZBYNQ-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.01
Rot. Bonds6

About N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide

N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide (PubChem CID 4905543) has the molecular formula C20H24N4O2S and a molecular weight of 384.50 g/mol. Its IUPAC name is N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide
PubChem CID4905543
Molecular FormulaC20H24N4O2S
Molecular Weight384.50 g/mol
Exact Mass384.16
IUPAC NameN-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide
SMILESCn1c(CCN2CCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21
InChIInChI=1S/C20H24N4O2S/c1-23-19-10-9-16(22-27(25,26)17-7-3-2-4-8-17)15-18(19)21-20(23)11-14-24-12-5-6-13-24/h2-4,7-10,15,22H,5-6,11-14H2,1H3
InChIKeyVHWRNRAZZZBYNQ-UHFFFAOYSA-N
XLogP3.01
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
The IUPAC name of N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide (CID 4905543) is N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
The canonical SMILES for N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide is Cn1c(CCN2CCCC2)nc2cc(NS(=O)(=O)c3ccccc3)ccc21.
What is the InChIKey of N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
The InChIKey is VHWRNRAZZZBYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2S/c1-23-19-10-9-16(22-27(25,26)17-7-3-2-4-8-17)15-18(19)21-20(23)11-14-24-12-5-6-13-24/h2-4,7-10,15,22H,5-6,11-14H2,1H3.
What are the key properties of N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide?
N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide has a molecular weight of 384.50 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-2-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 4905543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).