2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide

C23H24N4O2S — CID 46477193

IUPAC2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)n1-c1ccccc1
InChIInChI=1S/C23H24N4O2S/c1-30-23-25-16-20(27(23)19-10-3-2-4-11-19)21(28)24-15-17-8-7-9-18(14-17)22(29)26-12-5-6-13-26/h2-4,7-11,14,16H,5-6,12-13,15H2,1H3,(H,24,28)
InChIKeySAVASVDOZJUTGU-UHFFFAOYSA-N
MW420.54 g/mol
LogP3.76
Rot. Bonds6

About 2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide

2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide (PubChem CID 46477193) has the molecular formula C23H24N4O2S and a molecular weight of 420.54 g/mol. Its IUPAC name is 2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide
PubChem CID46477193
Molecular FormulaC23H24N4O2S
Molecular Weight420.54 g/mol
Exact Mass420.16
IUPAC Name2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide
SMILESCSc1ncc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)n1-c1ccccc1
InChIInChI=1S/C23H24N4O2S/c1-30-23-25-16-20(27(23)19-10-3-2-4-11-19)21(28)24-15-17-8-7-9-18(14-17)22(29)26-12-5-6-13-26/h2-4,7-11,14,16H,5-6,12-13,15H2,1H3,(H,24,28)
InChIKeySAVASVDOZJUTGU-UHFFFAOYSA-N
XLogP3.76
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-3-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]imidazole-4-carboxamide
CID 30875130
N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46466970
3,4-diethoxy-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 46467040
1-benzyl-3-[[3-(piperidine-1-carbonyl)phenyl]methyl]thiourea
CID 43075884
2,3-dimethyl-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]quinoxaline-6-carboxamide
CID 55692999
1-methyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]indole-3-carboxamide
CID 51120858
1-methyl-6-oxo-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-3-carboxamide
CID 55722187
N-[1-(furan-2-carbonyl)piperidin-4-yl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 134000431
3-(4-fluorophenyl)-N-[[3-[(2-methoxyacetyl)amino]phenyl]methyl]-2-methylsulfanylimidazole-4-carboxamide
CID 37356551
2-anilino-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 55722118
4-propan-2-ylsulfanyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]benzamide
CID 47057188
N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46813286

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide?
The IUPAC name of 2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide (CID 46477193) is 2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide?
The canonical SMILES for 2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide is CSc1ncc(C(=O)NCc2cccc(C(=O)N3CCCC3)c2)n1-c1ccccc1.
What is the InChIKey of 2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide?
The InChIKey is SAVASVDOZJUTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2S/c1-30-23-25-16-20(27(23)19-10-3-2-4-11-19)21(28)24-15-17-8-7-9-18(14-17)22(29)26-12-5-6-13-26/h2-4,7-11,14,16H,5-6,12-13,15H2,1H3,(H,24,28).
What are the key properties of 2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide?
2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide has a molecular weight of 420.54 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide is sourced from PubChem (CID 46477193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).