1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid

C18H18N2O2S — CID 11595036

IUPAC1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(nc(-c3ccccc3)n2C2CCCCC2)s1
InChIInChI=1S/C18H18N2O2S/c21-18(22)15-11-14-17(23-15)19-16(12-7-3-1-4-8-12)20(14)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,21,22)
InChIKeyAMZYXSDXTBKFSI-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.97
Rot. Bonds3

About 1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid

1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid (PubChem CID 11595036) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid
PubChem CID11595036
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid
SMILESO=C(O)c1cc2c(nc(-c3ccccc3)n2C2CCCCC2)s1
InChIInChI=1S/C18H18N2O2S/c21-18(22)15-11-14-17(23-15)19-16(12-7-3-1-4-8-12)20(14)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,21,22)
InChIKeyAMZYXSDXTBKFSI-UHFFFAOYSA-N
XLogP4.97
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid?
The IUPAC name of 1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid (CID 11595036) is 1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid.
What is the SMILES notation for 1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid?
The canonical SMILES for 1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid is O=C(O)c1cc2c(nc(-c3ccccc3)n2C2CCCCC2)s1.
What is the InChIKey of 1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid?
The InChIKey is AMZYXSDXTBKFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-18(22)15-11-14-17(23-15)19-16(12-7-3-1-4-8-12)20(14)13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,21,22).
What are the key properties of 1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid?
1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid has a molecular weight of 326.42 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid is sourced from PubChem (CID 11595036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).