6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

C21H22N4O3S — CID 18133809

IUPAC6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)ccc2N1
InChIInChI=1S/C21H22N4O3S/c26-20-8-5-15-13-16(6-7-17(15)22-20)29(27,28)25-11-9-14(10-12-25)21-23-18-3-1-2-4-19(18)24-21/h1-4,6-7,13-14H,5,8-12H2,(H,22,26)(H,23,24)
InChIKeyWDTNRMBGNQEPSA-UHFFFAOYSA-N
MW410.50 g/mol
LogP3.02
Rot. Bonds3

About 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 18133809) has the molecular formula C21H22N4O3S and a molecular weight of 410.50 g/mol. Its IUPAC name is 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID18133809
Molecular FormulaC21H22N4O3S
Molecular Weight410.50 g/mol
Exact Mass410.14
IUPAC Name6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
SMILESO=C1CCc2cc(S(=O)(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)ccc2N1
InChIInChI=1S/C21H22N4O3S/c26-20-8-5-15-13-16(6-7-17(15)22-20)29(27,28)25-11-9-14(10-12-25)21-23-18-3-1-2-4-19(18)24-21/h1-4,6-7,13-14H,5,8-12H2,(H,22,26)(H,23,24)
InChIKeyWDTNRMBGNQEPSA-UHFFFAOYSA-N
XLogP3.02
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-1,3-dimethylbenzimidazol-2-one
CID 172895773
6-(4-methylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 3648361
2-[1-(3-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582836
5-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3-methyl-1,3-benzoxazol-2-one
CID 146025140
2-[1-(3,5-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18268675
2-[1-(3,4-diethoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582851
2-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 16582835
molecular hydrogen;2-[1-(4-phenoxyphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 142409926
6-(4-benzoylpiperidin-1-yl)sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 55488624
2-[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 18575330
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-(4-bromo-2,6-dichlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazole
CID 112807240

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 18133809) is 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is O=C1CCc2cc(S(=O)(=O)N3CCC(c4nc5ccccc5[nH]4)CC3)ccc2N1.
What is the InChIKey of 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is WDTNRMBGNQEPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3S/c26-20-8-5-15-13-16(6-7-17(15)22-20)29(27,28)25-11-9-14(10-12-25)21-23-18-3-1-2-4-19(18)24-21/h1-4,6-7,13-14H,5,8-12H2,(H,22,26)(H,23,24).
What are the key properties of 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?
6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 410.50 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 18133809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).