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

C17H19N3O4S — CID 71587579

IUPAC[4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol
SMILESCOc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3CO)[nH]c2c1
InChIInChI=1S/C17H19N3O4S/c1-10-7-18-15(12(8-21)16(10)24-3)9-25(22)17-19-13-5-4-11(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
InChIKeyIGVYIWUGJPECAJ-UHFFFAOYSA-N
MW361.42 g/mol
LogP2.08
Rot. Bonds6

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

[4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol (PubChem CID 71587579) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is [4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol
PubChem CID71587579
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name[4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol
SMILESCOc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3CO)[nH]c2c1
InChIInChI=1S/C17H19N3O4S/c1-10-7-18-15(12(8-21)16(10)24-3)9-25(22)17-19-13-5-4-11(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20)
InChIKeyIGVYIWUGJPECAJ-UHFFFAOYSA-N
XLogP2.08
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol (CID 71587579) is [4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol is COc1ccc2nc(S(=O)Cc3ncc(C)c(OC)c3CO)[nH]c2c1.
What is the InChIKey of [4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol?
The InChIKey is IGVYIWUGJPECAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-10-7-18-15(12(8-21)16(10)24-3)9-25(22)17-19-13-5-4-11(23-2)6-14(13)20-17/h4-7,21H,8-9H2,1-3H3,(H,19,20).
What are the key properties of [4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol?
[4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol has a molecular weight of 361.42 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfinylmethyl]-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 71587579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).