2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole

C16H15N5O2S — CID 71232335

IUPAC2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCOc1ccnc(CS(=O)c2nc3cc4nc[nH]c4cc3[nH]2)c1C
InChIInChI=1S/C16H15N5O2S/c1-9-14(17-4-3-15(9)23-2)7-24(22)16-20-12-5-10-11(19-8-18-10)6-13(12)21-16/h3-6,8H,7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyDVJYXRPQQBOXIV-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.46
Rot. Bonds4

About 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole

2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole (PubChem CID 71232335) has the molecular formula C16H15N5O2S and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole.

Molecular Properties

Compound Name2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole
PubChem CID71232335
Molecular FormulaC16H15N5O2S
Molecular Weight341.40 g/mol
Exact Mass341.09
IUPAC Name2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole
SMILESCOc1ccnc(CS(=O)c2nc3cc4nc[nH]c4cc3[nH]2)c1C
InChIInChI=1S/C16H15N5O2S/c1-9-14(17-4-3-15(9)23-2)7-24(22)16-20-12-5-10-11(19-8-18-10)6-13(12)21-16/h3-6,8H,7H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyDVJYXRPQQBOXIV-UHFFFAOYSA-N
XLogP2.46
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole?
The IUPAC name of 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole (CID 71232335) is 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole.
What is the SMILES notation for 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole?
The canonical SMILES for 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole is COc1ccnc(CS(=O)c2nc3cc4nc[nH]c4cc3[nH]2)c1C.
What is the InChIKey of 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole?
The InChIKey is DVJYXRPQQBOXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S/c1-9-14(17-4-3-15(9)23-2)7-24(22)16-20-12-5-10-11(19-8-18-10)6-13(12)21-16/h3-6,8H,7H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole?
2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole has a molecular weight of 341.40 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-3-methyl-2-pyridinyl)methylsulfinyl]-3,5-dihydroimidazo[4,5-f]benzimidazole is sourced from PubChem (CID 71232335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).