1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone

C19H19N3O3S — CID 71783831

IUPAC1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CC(c3nc4ccc(C)cc4[nH]3)C2)c1
InChIInChI=1S/C19H19N3O3S/c1-12-6-7-17-18(8-12)21-19(20-17)15-10-22(11-15)26(24,25)16-5-3-4-14(9-16)13(2)23/h3-9,15H,10-11H2,1-2H3,(H,20,21)
InChIKeyHBTJOKLLEDZTHV-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.86
Rot. Bonds4

About 1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone

1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone (PubChem CID 71783831) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is 1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone
PubChem CID71783831
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC Name1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone
SMILESCC(=O)c1cccc(S(=O)(=O)N2CC(c3nc4ccc(C)cc4[nH]3)C2)c1
InChIInChI=1S/C19H19N3O3S/c1-12-6-7-17-18(8-12)21-19(20-17)15-10-22(11-15)26(24,25)16-5-3-4-14(9-16)13(2)23/h3-9,15H,10-11H2,1-2H3,(H,20,21)
InChIKeyHBTJOKLLEDZTHV-UHFFFAOYSA-N
XLogP2.86
TPSA83.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole
CID 71783829
2-[1-(3,4-dimethylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505868
2-[1-(benzenesulfonyl)azetidin-3-yl]-1H-benzimidazole
CID 90505852
3-[4-(6-chloro-1H-benzimidazol-2-yl)piperidin-1-yl]sulfonylbenzoate
CID 6985862
1-[3-(3,4-dimethoxypyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 103535085
2-[(3S)-1-(azepan-1-ylsulfonyl)piperidin-3-yl]-6-methyl-1H-benzimidazole
CID 97258168
1-[3-(3-quinolin-2-yloxyazetidin-1-yl)sulfonylphenyl]ethanone
CID 122250642
2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole
CID 99837702
2-[1-(4-tert-butylphenyl)sulfonylazetidin-3-yl]-1H-benzimidazole
CID 90505895
1-[3-(3-aminopyrrolidin-1-yl)sulfonylphenyl]ethanone
CID 62067980
[4-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-piperidin-1-ylmethanone
CID 1452977
1-[3-(3-phenylazepan-1-yl)sulfonylphenyl]ethanone
CID 90608667

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone?
The IUPAC name of 1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone (CID 71783831) is 1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone.
What is the SMILES notation for 1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone?
The canonical SMILES for 1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone is CC(=O)c1cccc(S(=O)(=O)N2CC(c3nc4ccc(C)cc4[nH]3)C2)c1.
What is the InChIKey of 1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone?
The InChIKey is HBTJOKLLEDZTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c1-12-6-7-17-18(8-12)21-19(20-17)15-10-22(11-15)26(24,25)16-5-3-4-14(9-16)13(2)23/h3-9,15H,10-11H2,1-2H3,(H,20,21).
What are the key properties of 1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone?
1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone has a molecular weight of 369.45 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone is sourced from PubChem (CID 71783831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).