N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide

C22H18N4O2S — CID 23302315

IUPACN-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide
SMILESCn1c(Cc2ccc(C#N)cc2)nc2c(NS(=O)(=O)c3ccccc3)cccc21
InChIInChI=1S/C22H18N4O2S/c1-26-20-9-5-8-19(25-29(27,28)18-6-3-2-4-7-18)22(20)24-21(26)14-16-10-12-17(15-23)13-11-16/h2-13,25H,14H2,1H3
InChIKeyQUVZHDWFILBMOX-UHFFFAOYSA-N
MW402.48 g/mol
LogP3.84
Rot. Bonds5

About N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide

N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide (PubChem CID 23302315) has the molecular formula C22H18N4O2S and a molecular weight of 402.48 g/mol. Its IUPAC name is N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide
PubChem CID23302315
Molecular FormulaC22H18N4O2S
Molecular Weight402.48 g/mol
Exact Mass402.12
IUPAC NameN-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide
SMILESCn1c(Cc2ccc(C#N)cc2)nc2c(NS(=O)(=O)c3ccccc3)cccc21
InChIInChI=1S/C22H18N4O2S/c1-26-20-9-5-8-19(25-29(27,28)18-6-3-2-4-7-18)22(20)24-21(26)14-16-10-12-17(15-23)13-11-16/h2-13,25H,14H2,1H3
InChIKeyQUVZHDWFILBMOX-UHFFFAOYSA-N
XLogP3.84
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.48
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide (CID 23302315) is N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide is Cn1c(Cc2ccc(C#N)cc2)nc2c(NS(=O)(=O)c3ccccc3)cccc21.
What is the InChIKey of N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide?
The InChIKey is QUVZHDWFILBMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S/c1-26-20-9-5-8-19(25-29(27,28)18-6-3-2-4-7-18)22(20)24-21(26)14-16-10-12-17(15-23)13-11-16/h2-13,25H,14H2,1H3.
What are the key properties of N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide?
N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide has a molecular weight of 402.48 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyanophenyl)methyl]-1-methylbenzimidazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 23302315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).