3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide

C21H23N3O2 — CID 86866382

IUPAC3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide
SMILESCc1c[nH]c(=O)n1-c1cccc(NC(=O)CC(C)(C)c2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c1-15-14-22-20(26)24(15)18-11-7-10-17(12-18)23-19(25)13-21(2,3)16-8-5-4-6-9-16/h4-12,14H,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyXCCYTLAZAJVSMU-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.78
Rot. Bonds5

About 3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide

3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide (PubChem CID 86866382) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide.

Molecular Properties

Compound Name3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide
PubChem CID86866382
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide
SMILESCc1c[nH]c(=O)n1-c1cccc(NC(=O)CC(C)(C)c2ccccc2)c1
InChIInChI=1S/C21H23N3O2/c1-15-14-22-20(26)24(15)18-11-7-10-17(12-18)23-19(25)13-21(2,3)16-8-5-4-6-9-16/h4-12,14H,13H2,1-3H3,(H,22,26)(H,23,25)
InChIKeyXCCYTLAZAJVSMU-UHFFFAOYSA-N
XLogP3.78
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide?
The IUPAC name of 3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide (CID 86866382) is 3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide.
What is the SMILES notation for 3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide?
The canonical SMILES for 3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide is Cc1c[nH]c(=O)n1-c1cccc(NC(=O)CC(C)(C)c2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide?
The InChIKey is XCCYTLAZAJVSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-15-14-22-20(26)24(15)18-11-7-10-17(12-18)23-19(25)13-21(2,3)16-8-5-4-6-9-16/h4-12,14H,13H2,1-3H3,(H,22,26)(H,23,25).
What are the key properties of 3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide?
3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide has a molecular weight of 349.43 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-phenylbutanamide is sourced from PubChem (CID 86866382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).