2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole

C13H14N2S — CID 70937672

IUPAC2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole
SMILESCc1nc2c(ccc3cc(C(C)C)sc32)[nH]1
InChIInChI=1S/C13H14N2S/c1-7(2)11-6-9-4-5-10-12(13(9)16-11)15-8(3)14-10/h4-7H,1-3H3,(H,14,15)
InChIKeyXCMULHXMNRUZCF-UHFFFAOYSA-N
MW230.34 g/mol
LogP4.21
Rot. Bonds1

About 2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole

2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole (PubChem CID 70937672) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole.

Molecular Properties

Compound Name2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole
PubChem CID70937672
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole
SMILESCc1nc2c(ccc3cc(C(C)C)sc32)[nH]1
InChIInChI=1S/C13H14N2S/c1-7(2)11-6-9-4-5-10-12(13(9)16-11)15-8(3)14-10/h4-7H,1-3H3,(H,14,15)
InChIKeyXCMULHXMNRUZCF-UHFFFAOYSA-N
XLogP4.21
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole?
The IUPAC name of 2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole (CID 70937672) is 2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole.
What is the SMILES notation for 2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole?
The canonical SMILES for 2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole is Cc1nc2c(ccc3cc(C(C)C)sc32)[nH]1.
What is the InChIKey of 2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole?
The InChIKey is XCMULHXMNRUZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-7(2)11-6-9-4-5-10-12(13(9)16-11)15-8(3)14-10/h4-7H,1-3H3,(H,14,15).
What are the key properties of 2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole?
2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole has a molecular weight of 230.34 g/mol, XLogP of 4.21, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-propan-2-yl-3H-thieno[2,3-e]benzimidazole is sourced from PubChem (CID 70937672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).