[4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol

C17H19N3O5S — CID 71587531

IUPAC[4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol
SMILESCOc1ccc2nc(S(=O)(=O)Cc3ncc(CO)c(OC)c3C)[nH]c2c1
InChIInChI=1S/C17H19N3O5S/c1-10-15(18-7-11(8-21)16(10)25-3)9-26(22,23)17-19-13-5-4-12(24-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
InChIKeyNXSJDCMGNOAVHM-UHFFFAOYSA-N
MW377.42 g/mol
LogP1.75
Rot. Bonds6

About [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol

[4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol (PubChem CID 71587531) has the molecular formula C17H19N3O5S and a molecular weight of 377.42 g/mol. Its IUPAC name is [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol
PubChem CID71587531
Molecular FormulaC17H19N3O5S
Molecular Weight377.42 g/mol
Exact Mass377.10
IUPAC Name[4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol
SMILESCOc1ccc2nc(S(=O)(=O)Cc3ncc(CO)c(OC)c3C)[nH]c2c1
InChIInChI=1S/C17H19N3O5S/c1-10-15(18-7-11(8-21)16(10)25-3)9-26(22,23)17-19-13-5-4-12(24-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
InChIKeyNXSJDCMGNOAVHM-UHFFFAOYSA-N
XLogP1.75
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol (CID 71587531) is [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol is COc1ccc2nc(S(=O)(=O)Cc3ncc(CO)c(OC)c3C)[nH]c2c1.
What is the InChIKey of [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol?
The InChIKey is NXSJDCMGNOAVHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5S/c1-10-15(18-7-11(8-21)16(10)25-3)9-26(22,23)17-19-13-5-4-12(24-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20).
What are the key properties of [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol?
[4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol has a molecular weight of 377.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-6-[(6-methoxy-1H-benzimidazol-2-yl)sulfonylmethyl]-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 71587531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).