4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide

C13H19N5O2S — CID 171910596

IUPAC4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide
SMILESCc1ccc2nc(CN3CCN(S(N)(=O)=O)CC3)[nH]c2c1
InChIInChI=1S/C13H19N5O2S/c1-10-2-3-11-12(8-10)16-13(15-11)9-17-4-6-18(7-5-17)21(14,19)20/h2-3,8H,4-7,9H2,1H3,(H,15,16)(H2,14,19,20)
InChIKeyHQPGEEPZYLQQIN-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.19
Rot. Bonds3

About 4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide

4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide (PubChem CID 171910596) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide
PubChem CID171910596
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide
SMILESCc1ccc2nc(CN3CCN(S(N)(=O)=O)CC3)[nH]c2c1
InChIInChI=1S/C13H19N5O2S/c1-10-2-3-11-12(8-10)16-13(15-11)9-17-4-6-18(7-5-17)21(14,19)20/h2-3,8H,4-7,9H2,1H3,(H,15,16)(H2,14,19,20)
InChIKeyHQPGEEPZYLQQIN-UHFFFAOYSA-N
XLogP0.19
TPSA95.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide?
The IUPAC name of 4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide (CID 171910596) is 4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide.
What is the SMILES notation for 4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide?
The canonical SMILES for 4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide is Cc1ccc2nc(CN3CCN(S(N)(=O)=O)CC3)[nH]c2c1.
What is the InChIKey of 4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide?
The InChIKey is HQPGEEPZYLQQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-10-2-3-11-12(8-10)16-13(15-11)9-17-4-6-18(7-5-17)21(14,19)20/h2-3,8H,4-7,9H2,1H3,(H,15,16)(H2,14,19,20).
What are the key properties of 4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide?
4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide has a molecular weight of 309.39 g/mol, XLogP of 0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methyl-1H-benzimidazol-2-yl)methyl]piperazine-1-sulfonamide is sourced from PubChem (CID 171910596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).