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

C18H18N2O2S — CID 11587905

IUPAC3-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3)n(C3CCCCC3)c2s1
InChIInChI=1S/C18H18N2O2S/c21-18(22)15-11-14-17(23-15)20(13-9-5-2-6-10-13)16(19-14)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,21,22)
InChIKeyLQDFCZYHQVUFRD-UHFFFAOYSA-N
MW326.42 g/mol
LogP4.97
Rot. Bonds3

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

3-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid (PubChem CID 11587905) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 3-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid
PubChem CID11587905
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC Name3-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccccc3)n(C3CCCCC3)c2s1
InChIInChI=1S/C18H18N2O2S/c21-18(22)15-11-14-17(23-15)20(13-9-5-2-6-10-13)16(19-14)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,21,22)
InChIKeyLQDFCZYHQVUFRD-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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Related Compounds

5-Thia-1,7-diazatricyclo(6.4.0.0,2,6)dodeca-2(6),3,7,9,11-pentaene-4-carboxylic acid
CID 5101518
1-Cyclohexyl-2-(2-thienyl)benzimidazole-5-carboxylic acid
CID 491103
1H-Benzimidazole-5-carboxylic acid, 1-cyclohexyl-2-(2-thiazolyl)-
CID 491110
1H-Benzimidazole-5-carboxylic acid, 1-cyclohexyl-2-(3-thienyl)-
CID 491116
1-cyclohexyl-2-phenyl-1H-thieno[3,2-d]imidazole-5-carboxylic acid
CID 11595036
3-Imidazo[2,1-b][1,3]benzothiazol-2-ylbenzoic acid
CID 12926145
1H-Benzimidazole-5-carboxylic acid, 1-cyclohexyl-2-(5-methyl-2-thienyl)-
CID 491105
1-Cyclohexyl-2-(5-ethyl-thiophen-2-yl)-1H-benzoimidazole-5-carboxylic acid
CID 44386464
2-(5-Carboxy-thiophen-2-yl)-1-cyclohexyl-1H-benzoimidazole-5-carboxylic acid
CID 44386513
2-(1-Benzylbenzimidazol-2-yl)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 51032680
2-[4-[(2-Butylthieno[3,4-d]imidazol-3-yl)methyl]phenyl]benzoic acid
CID 15035531
methyl 2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]thieno[2,3-d]imidazole-5-carboxylate
CID 15231988

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid?
The IUPAC name of 3-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid (CID 11587905) is 3-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid.
What is the SMILES notation for 3-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid?
The canonical SMILES for 3-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid is O=C(O)c1cc2nc(-c3ccccc3)n(C3CCCCC3)c2s1.
What is the InChIKey of 3-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid?
The InChIKey is LQDFCZYHQVUFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-18(22)15-11-14-17(23-15)20(13-9-5-2-6-10-13)16(19-14)12-7-3-1-4-8-12/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H,21,22).
What are the key properties of 3-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid?
3-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 3-cyclohexyl-2-phenylthieno[2,3-d]imidazole-5-carboxylic acid is sourced from PubChem (CID 11587905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).