3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide

C27H19N3OS2 — CID 46101362

IUPAC3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cncn1-c1cccc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C27H19N3OS2/c31-27(29-15-20-8-5-13-32-20)24-16-28-17-30(24)19-7-3-6-18(14-19)21-10-4-11-23-22-9-1-2-12-25(22)33-26(21)23/h1-14,16-17H,15H2,(H,29,31)
InChIKeyISSSOZGEDSLMCD-UHFFFAOYSA-N
MW465.60 g/mol
LogP6.90
Rot. Bonds5

About 3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide

3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide (PubChem CID 46101362) has the molecular formula C27H19N3OS2 and a molecular weight of 465.60 g/mol. Its IUPAC name is 3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
PubChem CID46101362
Molecular FormulaC27H19N3OS2
Molecular Weight465.60 g/mol
Exact Mass465.10
IUPAC Name3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
SMILESO=C(NCc1cccs1)c1cncn1-c1cccc(-c2cccc3c2sc2ccccc23)c1
InChIInChI=1S/C27H19N3OS2/c31-27(29-15-20-8-5-13-32-20)24-16-28-17-30(24)19-7-3-6-18(14-19)21-10-4-11-23-22-9-1-2-12-25(22)33-26(21)23/h1-14,16-17H,15H2,(H,29,31)
InChIKeyISSSOZGEDSLMCD-UHFFFAOYSA-N
XLogP6.90
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.60
LogP ≤ 56.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide
CID 46101325
3-(3-dibenzothiophen-4-ylphenyl)-N-[3-(4-methoxyphenyl)propyl]imidazole-4-carboxamide
CID 46102881
4-[[1-[3-(3-dibenzothiophen-4-ylphenyl)imidazole-4-carbonyl]piperidin-4-yl]methyl]benzamide
CID 46102879
N-[(3-iodophenyl)methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 46081597
N-[(3-methylthiophen-2-yl)methyl]-3-phenylimidazole-4-carboxamide
CID 32987382
9-[3-[3-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]phenyl]phenyl]carbazole
CID 67121574
N-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 92771028
N-[(2R)-2-ethylhexyl]-3-[3-[2-(trifluoromethyl)phenyl]phenyl]imidazole-4-carboxamide
CID 92769989
1-(3-methylphenyl)-N-(thiophen-2-ylmethyl)benzimidazole-5-carboxamide
CID 86268678
N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 126471977
4-(3-chlorophenyl)dibenzothiophene
CID 118232411
21-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-23-thia-15,25-diazahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(14),2,4,6,8,10,12,15,17(22),18,20,24-dodecaene
CID 139337392

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The IUPAC name of 3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide (CID 46101362) is 3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for 3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The canonical SMILES for 3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide is O=C(NCc1cccs1)c1cncn1-c1cccc(-c2cccc3c2sc2ccccc23)c1.
What is the InChIKey of 3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
The InChIKey is ISSSOZGEDSLMCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N3OS2/c31-27(29-15-20-8-5-13-32-20)24-16-28-17-30(24)19-7-3-6-18(14-19)21-10-4-11-23-22-9-1-2-12-25(22)33-26(21)23/h1-14,16-17H,15H2,(H,29,31).
What are the key properties of 3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide?
3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide has a molecular weight of 465.60 g/mol, XLogP of 6.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 46101362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).