4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine

C17H16N4S — CID 845804

IUPAC4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCc1ccc2nc(-c3sc4nc(C)cc(C)c4c3N)[nH]c2c1
InChIInChI=1S/C17H16N4S/c1-8-4-5-11-12(6-8)21-16(20-11)15-14(18)13-9(2)7-10(3)19-17(13)22-15/h4-7H,18H2,1-3H3,(H,20,21)
InChIKeyLHXJRPUBIGMCAJ-UHFFFAOYSA-N
MW308.41 g/mol
LogP4.35
Rot. Bonds1

About 4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine

4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine (PubChem CID 845804) has the molecular formula C17H16N4S and a molecular weight of 308.41 g/mol. Its IUPAC name is 4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine.

Molecular Properties

Compound Name4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine
PubChem CID845804
Molecular FormulaC17H16N4S
Molecular Weight308.41 g/mol
Exact Mass308.11
IUPAC Name4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine
SMILESCc1ccc2nc(-c3sc4nc(C)cc(C)c4c3N)[nH]c2c1
InChIInChI=1S/C17H16N4S/c1-8-4-5-11-12(6-8)21-16(20-11)15-14(18)13-9(2)7-10(3)19-17(13)22-15/h4-7H,18H2,1-3H3,(H,20,21)
InChIKeyLHXJRPUBIGMCAJ-UHFFFAOYSA-N
XLogP4.35
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The IUPAC name of 4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine (CID 845804) is 4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine.
What is the SMILES notation for 4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The canonical SMILES for 4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine is Cc1ccc2nc(-c3sc4nc(C)cc(C)c4c3N)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine?
The InChIKey is LHXJRPUBIGMCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S/c1-8-4-5-11-12(6-8)21-16(20-11)15-14(18)13-9(2)7-10(3)19-17(13)22-15/h4-7H,18H2,1-3H3,(H,20,21).
What are the key properties of 4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine?
4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine has a molecular weight of 308.41 g/mol, XLogP of 4.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(6-methyl-1H-benzimidazol-2-yl)thieno[2,3-b]pyridin-3-amine is sourced from PubChem (CID 845804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).