3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide

C31H31N3OS — CID 92822352

IUPAC3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)c2cncn2-c2cccc(-c3cccc4c3sc3ccccc34)c2)CC(C)(C)C1
InChIInChI=1S/C31H31N3OS/c1-20-14-22(17-31(2,3)16-20)33-30(35)27-18-32-19-34(27)23-9-6-8-21(15-23)24-11-7-12-26-25-10-4-5-13-28(25)36-29(24)26/h4-13,15,18-20,22H,14,16-17H2,1-3H3,(H,33,35)/t20-,22+/m1/s1
InChIKeyNJGNRAYWXPBWOZ-IRLDBZIGSA-N
MW493.68 g/mol
LogP7.85
Rot. Bonds4

About 3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide

3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide (PubChem CID 92822352) has the molecular formula C31H31N3OS and a molecular weight of 493.68 g/mol. Its IUPAC name is 3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
PubChem CID92822352
Molecular FormulaC31H31N3OS
Molecular Weight493.68 g/mol
Exact Mass493.22
IUPAC Name3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
SMILESC[C@@H]1C[C@H](NC(=O)c2cncn2-c2cccc(-c3cccc4c3sc3ccccc34)c2)CC(C)(C)C1
InChIInChI=1S/C31H31N3OS/c1-20-14-22(17-31(2,3)16-20)33-30(35)27-18-32-19-34(27)23-9-6-8-21(15-23)24-11-7-12-26-25-10-4-5-13-28(25)36-29(24)26/h4-13,15,18-20,22H,14,16-17H2,1-3H3,(H,33,35)/t20-,22+/m1/s1
InChIKeyNJGNRAYWXPBWOZ-IRLDBZIGSA-N
XLogP7.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.68
LogP ≤ 57.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]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-(3,4-dimethoxyphenyl)phenyl]-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92770866
3-(3-dibenzothiophen-4-ylphenyl)-N-(2,2-diphenylpropyl)imidazole-4-carboxamide
CID 46101325
3-(3-dibenzothiophen-4-ylphenyl)-N-[(2R)-heptan-2-yl]imidazole-4-carboxamide
CID 92822182
3-(3-dibenzothiophen-4-ylphenyl)-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 46101362
3-(3-dibenzothiophen-4-ylphenyl)-N-[3-(4-methoxyphenyl)propyl]imidazole-4-carboxamide
CID 46102881
3-[4-(3,4-difluorophenyl)phenyl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92768819
3-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide
CID 92773401
4-[[1-[3-(3-dibenzothiophen-4-ylphenyl)imidazole-4-carbonyl]piperidin-4-yl]methyl]benzamide
CID 46102879
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide
CID 1206106
N-[(1R,5R)-3,3,5-trimethylcyclohexyl]pyridine-3-carboxamide
CID 39358749
9-(3-dibenzothiophen-4-ylphenyl)carbazole
CID 139307554
1,4-bis(3-dibenzothiophen-4-ylphenyl)-2,3,4a,8a-tetrahydroquinoxaline
CID 144588705

Frequently Asked Questions

What is the IUPAC name of 3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide?
The IUPAC name of 3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide (CID 92822352) is 3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide?
The canonical SMILES for 3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide is C[C@@H]1C[C@H](NC(=O)c2cncn2-c2cccc(-c3cccc4c3sc3ccccc34)c2)CC(C)(C)C1.
What is the InChIKey of 3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide?
The InChIKey is NJGNRAYWXPBWOZ-IRLDBZIGSA-N. The full InChI is InChI=1S/C31H31N3OS/c1-20-14-22(17-31(2,3)16-20)33-30(35)27-18-32-19-34(27)23-9-6-8-21(15-23)24-11-7-12-26-25-10-4-5-13-28(25)36-29(24)26/h4-13,15,18-20,22H,14,16-17H2,1-3H3,(H,33,35)/t20-,22+/m1/s1.
What are the key properties of 3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide?
3-(3-dibenzothiophen-4-ylphenyl)-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide has a molecular weight of 493.68 g/mol, XLogP of 7.85, 4 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-[(1S,5S)-3,3,5-trimethylcyclohexyl]imidazole-4-carboxamide is sourced from PubChem (CID 92822352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).