N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

C20H21N3OS — CID 55919005

IUPACN-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)N(C)c2cc(C)cc(C)c2)n1-c1ccccc1
InChIInChI=1S/C20H21N3OS/c1-14-10-15(2)12-17(11-14)22(3)19(24)18-13-21-20(25-4)23(18)16-8-6-5-7-9-16/h5-13H,1-4H3
InChIKeyZLRHNEFSAIIOQJ-UHFFFAOYSA-N
MW351.48 g/mol
LogP4.49
Rot. Bonds4

About N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (PubChem CID 55919005) has the molecular formula C20H21N3OS and a molecular weight of 351.48 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
PubChem CID55919005
Molecular FormulaC20H21N3OS
Molecular Weight351.48 g/mol
Exact Mass351.14
IUPAC NameN-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCSc1ncc(C(=O)N(C)c2cc(C)cc(C)c2)n1-c1ccccc1
InChIInChI=1S/C20H21N3OS/c1-14-10-15(2)12-17(11-14)22(3)19(24)18-13-21-20(25-4)23(18)16-8-6-5-7-9-16/h5-13H,1-4H3
InChIKeyZLRHNEFSAIIOQJ-UHFFFAOYSA-N
XLogP4.49
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.48
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 47110159
N-(3-fluoro-4-methoxyphenyl)-3-(4-fluorophenyl)-N-methyl-2-methylsulfanylimidazole-4-carboxamide
CID 99713372
(2-methylsulfanyl-3-phenylimidazol-4-yl)-(4-phenoxypiperidin-1-yl)methanone
CID 86833858
N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46813286
N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46674108
[4-(3-methoxyphenyl)piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 38601110
3-(4-fluorophenyl)-N-methyl-2-methylsulfanyl-N-(pyridin-2-ylmethyl)imidazole-4-carboxamide
CID 55957769
2-methylsulfanyl-3-phenyl-N-(1H-1,2,4-triazol-5-yl)imidazole-4-carboxamide
CID 30864717
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 17463018
[2-[methyl-(4-methylcyclohexyl)amino]-2-oxoethyl] 2-methylsulfanyl-3-phenylimidazole-4-carboxylate
CID 30025242
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 31060141
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 31060142

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (CID 55919005) is N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is CSc1ncc(C(=O)N(C)c2cc(C)cc(C)c2)n1-c1ccccc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The InChIKey is ZLRHNEFSAIIOQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3OS/c1-14-10-15(2)12-17(11-14)22(3)19(24)18-13-21-20(25-4)23(18)16-8-6-5-7-9-16/h5-13H,1-4H3.
What are the key properties of N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide has a molecular weight of 351.48 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-N-methyl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 55919005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).