3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide

C37H29N3OS — CID 46101325

IUPAC3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide
SMILESCC(CNC(=O)c1cncn1-c1cccc(-c2cccc3c2sc2ccccc23)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H29N3OS/c1-37(27-13-4-2-5-14-27,28-15-6-3-7-16-28)24-39-36(41)33-23-38-25-40(33)29-17-10-12-26(22-29)30-19-11-20-32-31-18-8-9-21-34(31)42-35(30)32/h2-23,25H,24H2,1H3,(H,39,41)
InChIKeyGIOUPDFZXRZSBW-UHFFFAOYSA-N
MW563.73 g/mol
LogP8.64
Rot. Bonds7

About 3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide

3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide (PubChem CID 46101325) has the molecular formula C37H29N3OS and a molecular weight of 563.73 g/mol. Its IUPAC name is 3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide
PubChem CID46101325
Molecular FormulaC37H29N3OS
Molecular Weight563.73 g/mol
Exact Mass563.20
IUPAC Name3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide
SMILESCC(CNC(=O)c1cncn1-c1cccc(-c2cccc3c2sc2ccccc23)c1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C37H29N3OS/c1-37(27-13-4-2-5-14-27,28-15-6-3-7-16-28)24-39-36(41)33-23-38-25-40(33)29-17-10-12-26(22-29)30-19-11-20-32-31-18-8-9-21-34(31)42-35(30)32/h2-23,25H,24H2,1H3,(H,39,41)
InChIKeyGIOUPDFZXRZSBW-UHFFFAOYSA-N
XLogP8.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.73
LogP ≤ 58.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide?
The IUPAC name of 3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide (CID 46101325) is 3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide.
What is the SMILES notation for 3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide?
The canonical SMILES for 3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide is CC(CNC(=O)c1cncn1-c1cccc(-c2cccc3c2sc2ccccc23)c1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide?
The InChIKey is GIOUPDFZXRZSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H29N3OS/c1-37(27-13-4-2-5-14-27,28-15-6-3-7-16-28)24-39-36(41)33-23-38-25-40(33)29-17-10-12-26(22-29)30-19-11-20-32-31-18-8-9-21-34(31)42-35(30)32/h2-23,25H,24H2,1H3,(H,39,41).
What are the key properties of 3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide?
3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide has a molecular weight of 563.73 g/mol, XLogP of 8.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide is sourced from PubChem (CID 46101325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).