1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole

C14H16N4O2S — CID 22200675

IUPAC1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole
SMILESCCn1ncc(S(=O)(=O)n2c(C)nc3ccccc32)c1C
InChIInChI=1S/C14H16N4O2S/c1-4-17-10(2)14(9-15-17)21(19,20)18-11(3)16-12-7-5-6-8-13(12)18/h5-9H,4H2,1-3H3
InChIKeyFFXOPDQTPZLSRO-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.11
Rot. Bonds3

About 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole

1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole (PubChem CID 22200675) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole.

Molecular Properties

Compound Name1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole
PubChem CID22200675
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole
SMILESCCn1ncc(S(=O)(=O)n2c(C)nc3ccccc32)c1C
InChIInChI=1S/C14H16N4O2S/c1-4-17-10(2)14(9-15-17)21(19,20)18-11(3)16-12-7-5-6-8-13(12)18/h5-9H,4H2,1-3H3
InChIKeyFFXOPDQTPZLSRO-UHFFFAOYSA-N
XLogP2.11
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole?
The IUPAC name of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole (CID 22200675) is 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole.
What is the SMILES notation for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole?
The canonical SMILES for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole is CCn1ncc(S(=O)(=O)n2c(C)nc3ccccc32)c1C.
What is the InChIKey of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole?
The InChIKey is FFXOPDQTPZLSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-4-17-10(2)14(9-15-17)21(19,20)18-11(3)16-12-7-5-6-8-13(12)18/h5-9H,4H2,1-3H3.
What are the key properties of 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole?
1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole has a molecular weight of 304.38 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-5-methylpyrazol-4-yl)sulfonyl-2-methylbenzimidazole is sourced from PubChem (CID 22200675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).