N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide

C18H21N3O2S — CID 110760177

IUPACN-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)cc2[nH]1
InChIInChI=1S/C18H21N3O2S/c1-12-19-16-10-9-15(11-17(16)20-12)24(22,23)21-14-7-5-13(6-8-14)18(2,3)4/h5-11,21H,1-4H3,(H,19,20)
InChIKeyQEECUQRMCRISDZ-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.97
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide

N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide (PubChem CID 110760177) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
PubChem CID110760177
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
SMILESCc1nc2ccc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)cc2[nH]1
InChIInChI=1S/C18H21N3O2S/c1-12-19-16-10-9-15(11-17(16)20-12)24(22,23)21-14-7-5-13(6-8-14)18(2,3)4/h5-11,21H,1-4H3,(H,19,20)
InChIKeyQEECUQRMCRISDZ-UHFFFAOYSA-N
XLogP3.97
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-cyanophenyl)-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760223
N-(2-methyl-3H-benzimidazol-5-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110724306
N-(2-methyl-3H-benzimidazol-5-yl)-1,3-benzodioxole-5-sulfonamide
CID 110724276
2-chloro-N-(2-methyl-3H-benzimidazol-5-yl)pyrimidine-5-sulfonamide
CID 61053137
N-(2-methyl-3H-benzimidazol-5-yl)-1H-pyrazole-4-sulfonamide
CID 61274454
2,3-dimethyl-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 142887451
N-(3H-benzimidazol-5-yl)-4-tert-butylbenzenesulfonamide
CID 110724410
2-bromo-N-(2-methyl-3H-benzimidazol-5-yl)benzenesulfonamide
CID 61215553
N-(2-methyl-3H-benzimidazol-5-yl)ethanesulfonamide
CID 64584356
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742
N-[2-(dimethylamino)ethyl]-2-methyl-3H-benzimidazole-5-sulfonamide
CID 110760103
2-methyl-N-(3-methylbutyl)-3H-benzimidazole-5-sulfonamide
CID 110760149

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide (CID 110760177) is N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide is Cc1nc2ccc(S(=O)(=O)Nc3ccc(C(C)(C)C)cc3)cc2[nH]1.
What is the InChIKey of N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is QEECUQRMCRISDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12-19-16-10-9-15(11-17(16)20-12)24(22,23)21-14-7-5-13(6-8-14)18(2,3)4/h5-11,21H,1-4H3,(H,19,20).
What are the key properties of N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide?
N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-2-methyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).