4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole

C18H19N3O2S — CID 103597254

IUPAC4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)nc12
InChIInChI=1S/C18H19N3O2S/c1-13-5-4-6-16-17(13)20-18(19-16)14-7-9-15(10-8-14)24(22,23)21-11-2-3-12-21/h4-10H,2-3,11-12H2,1H3,(H,19,20)
InChIKeyRDJACGYSQFXBSJ-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.32
Rot. Bonds3

About 4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole

4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole (PubChem CID 103597254) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is 4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole
PubChem CID103597254
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole
SMILESCc1cccc2[nH]c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)nc12
InChIInChI=1S/C18H19N3O2S/c1-13-5-4-6-16-17(13)20-18(19-16)14-7-9-15(10-8-14)24(22,23)21-11-2-3-12-21/h4-10H,2-3,11-12H2,1H3,(H,19,20)
InChIKeyRDJACGYSQFXBSJ-UHFFFAOYSA-N
XLogP3.32
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-piperidin-1-ylsulfonylphenyl)-1H-benzimidazole
CID 101077984
2-(3-chloro-4-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722904
1-[4-(4-methylphenyl)phenyl]sulfonylazepane
CID 852205
N-(2,6-dimethylphenyl)-4-pyrrolidin-1-ylsulfonylbenzenesulfonamide
CID 8504701
1-(4-methylphenyl)sulfonyl-azacycloundecane
CID 12715310
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 3481507
4-chloro-2-(3-chloro-4-methylphenyl)-1H-benzimidazole
CID 28690834
4-[2-[4-[[4-[4-(4-methyl-1H-benzimidazol-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]ethyl]morpholine
CID 44526493
4-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]sulfonylmorpholine
CID 103597241
2-(4-piperidin-1-ylsulfonylphenyl)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;dihydrochloride
CID 154900025
N-(4-methyl-1,3-benzothiazol-2-yl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2640846
N-[4-(azepan-1-ylsulfonyl)phenyl]-8-methylquinolin-4-amine
CID 39853036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole?
The IUPAC name of 4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole (CID 103597254) is 4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole.
What is the SMILES notation for 4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole?
The canonical SMILES for 4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole is Cc1cccc2[nH]c(-c3ccc(S(=O)(=O)N4CCCC4)cc3)nc12.
What is the InChIKey of 4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole?
The InChIKey is RDJACGYSQFXBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-13-5-4-6-16-17(13)20-18(19-16)14-7-9-15(10-8-14)24(22,23)21-11-2-3-12-21/h4-10H,2-3,11-12H2,1H3,(H,19,20).
What are the key properties of 4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole?
4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole has a molecular weight of 341.44 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(4-pyrrolidin-1-ylsulfonylphenyl)-1H-benzimidazole is sourced from PubChem (CID 103597254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).