1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide

C18H21N3O2S — CID 110760445

IUPAC1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)ccc2n1C
InChIInChI=1S/C18H21N3O2S/c1-12(2)14-5-7-15(8-6-14)20-24(22,23)16-9-10-18-17(11-16)19-13(3)21(18)4/h5-12,20H,1-4H3
InChIKeyVNSDDZNNGJDYOR-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.81
Rot. Bonds4

About 1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide

1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide (PubChem CID 110760445) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide
PubChem CID110760445
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC Name1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide
SMILESCc1nc2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)ccc2n1C
InChIInChI=1S/C18H21N3O2S/c1-12(2)14-5-7-15(8-6-14)20-24(22,23)16-9-10-18-17(11-16)19-13(3)21(18)4/h5-12,20H,1-4H3
InChIKeyVNSDDZNNGJDYOR-UHFFFAOYSA-N
XLogP3.81
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(dimethylamino)phenyl]-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760465
N-(3-methoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760456
N-(4,5-dimethyl-1,3-thiazol-2-yl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760475
N-(4-propan-2-ylphenyl)naphthalene-2-sulfonamide
CID 3997695
1-methyl-2-oxo-N-(4-propan-2-ylphenyl)-4-(trifluoromethyl)quinoline-6-sulfonamide
CID 21015326
N-[4-(2-methylimidazol-1-yl)phenyl]-4-propan-2-ylbenzenesulfonamide
CID 35764194
N-(2-ethoxyphenyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760458
4-propan-2-yl-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202745
5-[chloro(difluoro)methyl]sulfonyl-1,2-dimethylbenzimidazole
CID 12993845
4-[(1,2-dimethylbenzimidazol-5-yl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclohexane-1-carboxamide
CID 56639932
N-(furan-2-ylmethyl)-1,2-dimethylbenzimidazole-5-sulfonamide
CID 110760391
2-ethylsulfanyl-N-(4-propan-2-ylphenyl)-1,3-benzothiazole-6-sulfonamide
CID 142682269

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide (CID 110760445) is 1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide is Cc1nc2cc(S(=O)(=O)Nc3ccc(C(C)C)cc3)ccc2n1C.
What is the InChIKey of 1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide?
The InChIKey is VNSDDZNNGJDYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c1-12(2)14-5-7-15(8-6-14)20-24(22,23)16-9-10-18-17(11-16)19-13(3)21(18)4/h5-12,20H,1-4H3.
What are the key properties of 1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide?
1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide has a molecular weight of 343.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-(4-propan-2-ylphenyl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 110760445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).