1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole

C15H21N3O2S — CID 2828846

IUPAC1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole
SMILESCCn1c(C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C15H21N3O2S/c1-3-18-12(2)16-14-11-13(7-8-15(14)18)21(19,20)17-9-5-4-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyDYEJFKJKGDVCNR-UHFFFAOYSA-N
MW307.42 g/mol
LogP2.54
Rot. Bonds3

About 1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole

1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole (PubChem CID 2828846) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is 1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole.

Molecular Properties

Compound Name1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole
PubChem CID2828846
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC Name1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole
SMILESCCn1c(C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C15H21N3O2S/c1-3-18-12(2)16-14-11-13(7-8-15(14)18)21(19,20)17-9-5-4-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3
InChIKeyDYEJFKJKGDVCNR-UHFFFAOYSA-N
XLogP2.54
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Pf-05212377
CID 46203710
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6-(morpholine-4-sulfonyl)-1H-1,3-benzodiazol-1-ol
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2-(chloromethyl)-1-ethyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole
CID 3713514
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CID 3845746
3-(1-butyl-5-(pyrrolidine-1-sulfonyl)-1H-1,3-benzodiazol-2-yl)propanoic acid
CID 4868364
1-ethyl-1H-1,3-benzodiazole-2-sulfonic acid
CID 2772526
1-Ethyl-2-methyl-5-(trifluoromethanesulfonyl)-1H-benzimidazole
CID 594620
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-5-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 10273854
3-({4-[(1,2-dimethyl-1H-1,3-benzodiazol-6-yl)(methyl)amino]pyrimidin-2-yl}amino)benzene-1-sulfonamide
CID 24949704
3-Methylthiobenzimidazo[1,2-C][1,2,3]thiadiazol-7-Sulfonamide
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole?
The IUPAC name of 1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole (CID 2828846) is 1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole.
What is the SMILES notation for 1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole?
The canonical SMILES for 1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole is CCn1c(C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole?
The InChIKey is DYEJFKJKGDVCNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-3-18-12(2)16-14-11-13(7-8-15(14)18)21(19,20)17-9-5-4-6-10-17/h7-8,11H,3-6,9-10H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole?
1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole has a molecular weight of 307.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-5-piperidin-1-ylsulfonylbenzimidazole is sourced from PubChem (CID 2828846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).