N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide

C20H26N4O2S — CID 4775364

IUPACN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide
SMILESCCN(CC)CCn1c(NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C20H26N4O2S/c1-4-23(5-2)14-15-24-19-9-7-6-8-18(19)21-20(24)22-27(25,26)17-12-10-16(3)11-13-17/h6-13H,4-5,14-15H2,1-3H3,(H,21,22)
InChIKeySZMKARZECLEQFZ-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.49
Rot. Bonds8

About N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide

N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide (PubChem CID 4775364) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide
PubChem CID4775364
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC NameN-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide
SMILESCCN(CC)CCn1c(NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21
InChIInChI=1S/C20H26N4O2S/c1-4-23(5-2)14-15-24-19-9-7-6-8-18(19)21-20(24)22-27(25,26)17-12-10-16(3)11-13-17/h6-13H,4-5,14-15H2,1-3H3,(H,21,22)
InChIKeySZMKARZECLEQFZ-UHFFFAOYSA-N
XLogP3.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide (CID 4775364) is N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide is CCN(CC)CCn1c(NS(=O)(=O)c2ccc(C)cc2)nc2ccccc21.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide?
The InChIKey is SZMKARZECLEQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-4-23(5-2)14-15-24-19-9-7-6-8-18(19)21-20(24)22-27(25,26)17-12-10-16(3)11-13-17/h6-13H,4-5,14-15H2,1-3H3,(H,21,22).
What are the key properties of N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide?
N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide has a molecular weight of 386.52 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]benzimidazol-2-yl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 4775364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).