3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide

C19H23N3O3S — CID 55689465

IUPAC3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2nc3ccccc3n2C)ccc1OC(C)C
InChIInChI=1S/C19H23N3O3S/c1-13(2)25-18-10-9-15(11-14(18)3)26(23,24)20-12-19-21-16-7-5-6-8-17(16)22(19)4/h5-11,13,20H,12H2,1-4H3
InChIKeyADZLMLPGZXTCQW-UHFFFAOYSA-N
MW373.48 g/mol
LogP3.15
Rot. Bonds6

About 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide

3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (PubChem CID 55689465) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.

Molecular Properties

Compound Name3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
PubChem CID55689465
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCc2nc3ccccc3n2C)ccc1OC(C)C
InChIInChI=1S/C19H23N3O3S/c1-13(2)25-18-10-9-15(11-14(18)3)26(23,24)20-12-19-21-16-7-5-6-8-17(16)22(19)4/h5-11,13,20H,12H2,1-4H3
InChIKeyADZLMLPGZXTCQW-UHFFFAOYSA-N
XLogP3.15
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-methyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 46969297
4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 18197789
N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 78809678
N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688305
N-ethyl-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 43258959
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide
CID 74238376
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809665
2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809672
N-(2-methoxypropyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide
CID 102697438
N-(2-aminoethyl)-3-methyl-4-propan-2-yloxybenzenesulfonamide;hydrochloride
CID 119959966
4-N-benzyl-4-N-ethyl-1-N-[(1-methylbenzimidazol-2-yl)methyl]benzene-1,4-disulfonamide
CID 1168577

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The IUPAC name of 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide (CID 55689465) is 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide.
What is the SMILES notation for 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The canonical SMILES for 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is Cc1cc(S(=O)(=O)NCc2nc3ccccc3n2C)ccc1OC(C)C.
What is the InChIKey of 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
The InChIKey is ADZLMLPGZXTCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(2)25-18-10-9-15(11-14(18)3)26(23,24)20-12-19-21-16-7-5-6-8-17(16)22(19)4/h5-11,13,20H,12H2,1-4H3.
What are the key properties of 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide?
3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide has a molecular weight of 373.48 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide is sourced from PubChem (CID 55689465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).