2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole

C19H22N4O3S — CID 99837702

IUPAC2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cn1
InChIInChI=1S/C19H22N4O3S/c1-13-5-7-16-17(10-13)22-19(21-16)14-4-3-9-23(12-14)27(24,25)15-6-8-18(26-2)20-11-15/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyOOPJMXMPDUTZQQ-CQSZACIVSA-N
MW386.48 g/mol
LogP2.84
Rot. Bonds4

About 2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole

2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole (PubChem CID 99837702) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole
PubChem CID99837702
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cn1
InChIInChI=1S/C19H22N4O3S/c1-13-5-7-16-17(10-13)22-19(21-16)14-4-3-9-23(12-14)27(24,25)15-6-8-18(26-2)20-11-15/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,21,22)/t14-/m1/s1
InChIKeyOOPJMXMPDUTZQQ-CQSZACIVSA-N
XLogP2.84
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-1-(azepan-1-ylsulfonyl)piperidin-3-yl]-6-methyl-1H-benzimidazole
CID 97258168
2-[1-(4-chloro-2-nitrophenyl)sulfonylpiperidin-3-yl]-6-methyl-1H-benzimidazole
CID 75400510
2-methoxy-5-piperidin-1-ylsulfonylpyridine
CID 5268012
1-[3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]-2-methylsulfanylethanone
CID 47091224
1-[3-[3-(6-methyl-1H-benzimidazol-2-yl)azetidin-1-yl]sulfonylphenyl]ethanone
CID 71783831
5-methyl-2-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-indole
CID 113088701
(2S)-1-[(3R)-3-(6-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]butan-2-ol
CID 99851245
(3R)-1-(4-fluorophenyl)sulfonyl-3-(5-methyl-1H-imidazol-2-yl)piperidine
CID 124953145
2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole
CID 71783829
2-[1-[(3-methylphenyl)methylsulfonyl]piperidin-3-yl]-1H-benzimidazole
CID 110404129
2-[1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-5-methyl-1H-indole
CID 113088702
N-cyclohexyl-3-(6-methyl-1H-benzimidazol-2-yl)piperidine-1-carbothioamide
CID 3223963

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole (CID 99837702) is 2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole is COc1ccc(S(=O)(=O)N2CCC[C@@H](c3nc4ccc(C)cc4[nH]3)C2)cn1.
What is the InChIKey of 2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole?
The InChIKey is OOPJMXMPDUTZQQ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-5-7-16-17(10-13)22-19(21-16)14-4-3-9-23(12-14)27(24,25)15-6-8-18(26-2)20-11-15/h5-8,10-11,14H,3-4,9,12H2,1-2H3,(H,21,22)/t14-/m1/s1.
What are the key properties of 2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole?
2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole has a molecular weight of 386.48 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(6-methoxy-3-pyridinyl)sulfonyl]piperidin-3-yl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 99837702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).