N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

C15H19N3OS — CID 46813286

IUPACN-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cnc(SC)n1-c1ccccc1
InChIInChI=1S/C15H19N3OS/c1-4-11(2)17-14(19)13-10-16-15(20-3)18(13)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,17,19)
InChIKeyIAYSRXUYKOCEGO-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.12
Rot. Bonds5

About N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide

N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (PubChem CID 46813286) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
PubChem CID46813286
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
SMILESCCC(C)NC(=O)c1cnc(SC)n1-c1ccccc1
InChIInChI=1S/C15H19N3OS/c1-4-11(2)17-14(19)13-10-16-15(20-3)18(13)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,17,19)
InChIKeyIAYSRXUYKOCEGO-UHFFFAOYSA-N
XLogP3.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(butan-2-ylcarbamoyl)phenyl]methyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 55798083
3-(4-fluorophenyl)-2-methylsulfanyl-N-propan-2-ylimidazole-4-carboxamide
CID 18124051
N-[1-(3-acetamidophenyl)ethyl]-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46402331
2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 47110159
N-(6-methyl-2-pyridinyl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 46674108
2-methylsulfanyl-3-phenyl-N-(1H-1,2,4-triazol-5-yl)imidazole-4-carboxamide
CID 30864717
N-(4-acetyl-1,3-thiazol-2-yl)-2-methylsulfanyl-3-phenylimidazole-4-carboxamide
CID 51248191
N'-(2-methylsulfanyl-3-phenylimidazole-4-carbonyl)-1H-indole-3-carbohydrazide
CID 30456352
[4-[(S)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 31060142
[4-[(R)-hydroxy(phenyl)methyl]piperidin-1-yl]-(2-methylsulfanyl-3-phenylimidazol-4-yl)methanone
CID 31060141
3-(4-fluorophenyl)-N'-(3-methylbutanoyl)-2-methylsulfanylimidazole-4-carbohydrazide
CID 24644526
2-methylsulfanyl-3-phenyl-N-[[3-(pyrrolidine-1-carbonyl)phenyl]methyl]imidazole-4-carboxamide
CID 46477193

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide (CID 46813286) is N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is CCC(C)NC(=O)c1cnc(SC)n1-c1ccccc1.
What is the InChIKey of N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
The InChIKey is IAYSRXUYKOCEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-11(2)17-14(19)13-10-16-15(20-3)18(13)12-8-6-5-7-9-12/h5-11H,4H2,1-3H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide?
N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-methylsulfanyl-3-phenylimidazole-4-carboxamide is sourced from PubChem (CID 46813286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).