5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole

C14H15N3O2S — CID 163727148

IUPAC5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole
SMILESCC1C=c2ncn(S(=O)(=O)c3cccnc3)c2=CC1C
InChIInChI=1S/C14H15N3O2S/c1-10-6-13-14(7-11(10)2)17(9-16-13)20(18,19)12-4-3-5-15-8-12/h3-11H,1-2H3
InChIKeyKWOLEXCQTHNZAC-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.36
Rot. Bonds2

About 5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole

5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole (PubChem CID 163727148) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is 5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole
PubChem CID163727148
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole
SMILESCC1C=c2ncn(S(=O)(=O)c3cccnc3)c2=CC1C
InChIInChI=1S/C14H15N3O2S/c1-10-6-13-14(7-11(10)2)17(9-16-13)20(18,19)12-4-3-5-15-8-12/h3-11H,1-2H3
InChIKeyKWOLEXCQTHNZAC-UHFFFAOYSA-N
XLogP0.36
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-bromo-5-methylpyrrol-1-yl)sulfonylpyridine
CID 159049899
2-phenyl-1-pyridin-3-ylsulfonylimidazole-4-carbaldehyde
CID 23660685
1-pyridin-3-ylsulfonylazetidin-3-ol
CID 63105318
calcium bis(pyridine-3-sulfonate)
CID 87775779
2,2,6-trimethyl-4-pyridin-3-ylsulfonylmorpholine
CID 47429920
2-bromo-1-pyridin-3-ylsulfonylpyrrole-3-carbaldehyde
CID 175088530
3-(4-bromopiperidin-1-yl)sulfonylpyridine
CID 80672721
[5-(4-methylsulfonylphenyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methylcarbamic acid
CID 67997227
3-methyl-1-pyridin-3-ylsulfonylpyrrolidine-2-carboxylic acid
CID 104937269
2-methyl-1-pyridin-3-ylsulfonyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43598080
N-methyl-1-[5-(6-phenyl-3-pyridinyl)-1-pyridin-3-ylsulfonylpyrrol-3-yl]methanamine
CID 154725866
3-[3-methyl-4-(2-methylphenyl)pyrrolidin-1-yl]sulfonylpyridine
CID 143257621

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole?
The IUPAC name of 5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole (CID 163727148) is 5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole.
What is the SMILES notation for 5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole?
The canonical SMILES for 5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole is CC1C=c2ncn(S(=O)(=O)c3cccnc3)c2=CC1C.
What is the InChIKey of 5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole?
The InChIKey is KWOLEXCQTHNZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-10-6-13-14(7-11(10)2)17(9-16-13)20(18,19)12-4-3-5-15-8-12/h3-11H,1-2H3.
What are the key properties of 5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole?
5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole has a molecular weight of 289.36 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1-pyridin-3-ylsulfonyl-5,6-dihydrobenzimidazole is sourced from PubChem (CID 163727148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).