N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide

C17H19N3O3S — CID 167767639

IUPACN-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2nc(-c3cccc(OC(C)C)c3)[nH]c2c1
InChIInChI=1S/C17H19N3O3S/c1-11(2)23-13-6-4-5-12(9-13)17-19-15-8-7-14(10-16(15)20-17)24(21,22)18-3/h4-11,18H,1-3H3,(H,19,20)
InChIKeyICACCVLLWCVWLE-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.93
Rot. Bonds5

About N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide

N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide (PubChem CID 167767639) has the molecular formula C17H19N3O3S and a molecular weight of 345.42 g/mol. Its IUPAC name is N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound NameN-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide
PubChem CID167767639
Molecular FormulaC17H19N3O3S
Molecular Weight345.42 g/mol
Exact Mass345.11
IUPAC NameN-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide
SMILESCNS(=O)(=O)c1ccc2nc(-c3cccc(OC(C)C)c3)[nH]c2c1
InChIInChI=1S/C17H19N3O3S/c1-11(2)23-13-6-4-5-12(9-13)17-19-15-8-7-14(10-16(15)20-17)24(21,22)18-3/h4-11,18H,1-3H3,(H,19,20)
InChIKeyICACCVLLWCVWLE-UHFFFAOYSA-N
XLogP2.93
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 19224771
5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 63399466
N-(3-chlorophenyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 22430107
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
N-butyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 122174787
methyl 2-(3-phenoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902843
2-(3-propan-2-yloxyphenyl)-1H-benzimidazole-4-carbonitrile
CID 104720433
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332
N-methyl-2-(2-phenyltriazol-4-yl)-3H-benzimidazole-5-sulfonamide
CID 167799347
methyl 2-(3-ethoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 91902839
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 25040313
2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde
CID 84756453

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide?
The IUPAC name of N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide (CID 167767639) is N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide is CNS(=O)(=O)c1ccc2nc(-c3cccc(OC(C)C)c3)[nH]c2c1.
What is the InChIKey of N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide?
The InChIKey is ICACCVLLWCVWLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3S/c1-11(2)23-13-6-4-5-12(9-13)17-19-15-8-7-14(10-16(15)20-17)24(21,22)18-3/h4-11,18H,1-3H3,(H,19,20).
What are the key properties of N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide?
N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide has a molecular weight of 345.42 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(3-propan-2-yloxyphenyl)-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 167767639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).