2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine

C17H16N4OS — CID 15548379

IUPAC2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine
SMILESCOCc1cc(C)nc2sc(-c3nc4ccccc4[nH]3)c(N)c12
InChIInChI=1S/C17H16N4OS/c1-9-7-10(8-22-2)13-14(18)15(23-17(13)19-9)16-20-11-5-3-4-6-12(11)21-16/h3-7H,8,18H2,1-2H3,(H,20,21)
InChIKeyBCSRENXIELHKCG-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.88
Rot. Bonds3

About 2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine

2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine (PubChem CID 15548379) has the molecular formula C17H16N4OS and a molecular weight of 324.41 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine
PubChem CID15548379
Molecular FormulaC17H16N4OS
Molecular Weight324.41 g/mol
Exact Mass324.10
IUPAC Name2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine
SMILESCOCc1cc(C)nc2sc(-c3nc4ccccc4[nH]3)c(N)c12
InChIInChI=1S/C17H16N4OS/c1-9-7-10(8-22-2)13-14(18)15(23-17(13)19-9)16-20-11-5-3-4-6-12(11)21-16/h3-7H,8,18H2,1-2H3,(H,20,21)
InChIKeyBCSRENXIELHKCG-UHFFFAOYSA-N
XLogP3.88
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine?
The IUPAC name of 2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine (CID 15548379) is 2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine is COCc1cc(C)nc2sc(-c3nc4ccccc4[nH]3)c(N)c12.
What is the InChIKey of 2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine?
The InChIKey is BCSRENXIELHKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS/c1-9-7-10(8-22-2)13-14(18)15(23-17(13)19-9)16-20-11-5-3-4-6-12(11)21-16/h3-7H,8,18H2,1-2H3,(H,20,21).
What are the key properties of 2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine?
2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine has a molecular weight of 324.41 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-yl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 15548379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).