1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide

C23H25N3O2 — CID 71882904

IUPAC1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)Nc3cccc(-n4c(C)c[nH]c4=O)c3)CCC2)c1
InChIInChI=1S/C23H25N3O2/c1-15-10-16(2)12-18(11-15)23(8-5-9-23)21(27)25-19-6-4-7-20(13-19)26-17(3)14-24-22(26)28/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyFGILLFHZSZDPJK-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.15
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide

1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide (PubChem CID 71882904) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide
PubChem CID71882904
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide
SMILESCc1cc(C)cc(C2(C(=O)Nc3cccc(-n4c(C)c[nH]c4=O)c3)CCC2)c1
InChIInChI=1S/C23H25N3O2/c1-15-10-16(2)12-18(11-15)23(8-5-9-23)21(27)25-19-6-4-7-20(13-19)26-17(3)14-24-22(26)28/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,24,28)(H,25,27)
InChIKeyFGILLFHZSZDPJK-UHFFFAOYSA-N
XLogP4.15
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxylic acid
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1-(2-chlorophenyl)-5-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]triazole-4-carboxamide
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N-[3-[(R)-methylsulfinyl]phenyl]-1-phenylcyclobutane-1-carboxamide
CID 95619879
4-methyl-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 63122188
1-(4-fluorophenyl)-N-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)phenyl]cyclobutane-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide (CID 71882904) is 1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide is Cc1cc(C)cc(C2(C(=O)Nc3cccc(-n4c(C)c[nH]c4=O)c3)CCC2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide?
The InChIKey is FGILLFHZSZDPJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-10-16(2)12-18(11-15)23(8-5-9-23)21(27)25-19-6-4-7-20(13-19)26-17(3)14-24-22(26)28/h4,6-7,10-14H,5,8-9H2,1-3H3,(H,24,28)(H,25,27).
What are the key properties of 1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide?
1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]cyclobutane-1-carboxamide is sourced from PubChem (CID 71882904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).