N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide

C15H19N5O2S — CID 71688305

IUPACN-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2nc3ccccc3n2C)cn1
InChIInChI=1S/C15H19N5O2S/c1-11(2)20-10-12(8-16-20)23(21,22)17-9-15-18-13-6-4-5-7-14(13)19(15)3/h4-8,10-11,17H,9H2,1-3H3
InChIKeyGBYZHCRNWXTVDH-UHFFFAOYSA-N
MW333.42 g/mol
LogP1.83
Rot. Bonds5

About N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide

N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide (PubChem CID 71688305) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
PubChem CID71688305
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC NameN-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
SMILESCC(C)n1cc(S(=O)(=O)NCc2nc3ccccc3n2C)cn1
InChIInChI=1S/C15H19N5O2S/c1-11(2)20-10-12(8-16-20)23(21,22)17-9-15-18-13-6-4-5-7-14(13)19(15)3/h4-8,10-11,17H,9H2,1-3H3
InChIKeyGBYZHCRNWXTVDH-UHFFFAOYSA-N
XLogP1.83
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethyl-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 18197789
N-[(1-methylbenzimidazol-2-yl)methyl]methanesulfonamide
CID 110712040
3-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]-4-propan-2-yloxybenzenesulfonamide
CID 55689465
2-fluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809665
2,6-difluoro-N-[(1-methylbenzimidazol-2-yl)methyl]benzenesulfonamide
CID 78809672
N-[(1-methylbenzimidazol-2-yl)methyl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 78809678
N-[(4-fluorophenyl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71688417
N,N-dimethyl-3-[(1-methylbenzimidazol-2-yl)methylsulfamoyl]benzamide
CID 74238376
4-N-benzyl-4-N-ethyl-1-N-[(1-methylbenzimidazol-2-yl)methyl]benzene-1,4-disulfonamide
CID 1168577
N-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-1-propan-2-ylpyrazole-4-sulfonamide
CID 71997577
N-(2-methylpyrazol-3-yl)-1-propan-2-ylpyrazole-4-sulfonamide
CID 139011594
N-[(3-methylimidazo[4,5-b]pyridin-2-yl)methyl]-4-propan-2-ylbenzenesulfonamide
CID 53022592

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The IUPAC name of N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide (CID 71688305) is N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide is CC(C)n1cc(S(=O)(=O)NCc2nc3ccccc3n2C)cn1.
What is the InChIKey of N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
The InChIKey is GBYZHCRNWXTVDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-11(2)20-10-12(8-16-20)23(21,22)17-9-15-18-13-6-4-5-7-14(13)19(15)3/h4-8,10-11,17H,9H2,1-3H3.
What are the key properties of N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide?
N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide has a molecular weight of 333.42 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylbenzimidazol-2-yl)methyl]-1-propan-2-ylpyrazole-4-sulfonamide is sourced from PubChem (CID 71688305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).