N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide

C18H17N3O — CID 139426275

IUPACN-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide
SMILESCc1cn(-c2ccc(NC(=O)Cc3ccccc3)cc2)cn1
InChIInChI=1S/C18H17N3O/c1-14-12-21(13-19-14)17-9-7-16(8-10-17)20-18(22)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,20,22)
InChIKeyRYBTYTMSDBTFBM-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.36
Rot. Bonds4

About N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide

N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide (PubChem CID 139426275) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide
PubChem CID139426275
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC NameN-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide
SMILESCc1cn(-c2ccc(NC(=O)Cc3ccccc3)cc2)cn1
InChIInChI=1S/C18H17N3O/c1-14-12-21(13-19-14)17-9-7-16(8-10-17)20-18(22)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,20,22)
InChIKeyRYBTYTMSDBTFBM-UHFFFAOYSA-N
XLogP3.36
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-methylimidazol-1-yl)phenyl]carbamic acid
CID 149149751
2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide
CID 70796311
N-[4-[(2-phenylacetyl)amino]phenyl]propanamide
CID 1274275
2-phenyl-N-(4-propylphenyl)acetamide
CID 126501660
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-phenylacetamide
CID 67308361
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
ethane;2-phenyl-N-[4-[[4-[(2-phenylacetyl)amino]phenyl]methyl]phenyl]acetamide
CID 123587423
N-[4-(azepan-1-yl)phenyl]-2-phenylacetamide
CID 16620353
N-(4-formylphenyl)-2-phenylacetamide
CID 56932050
2-(4-fluorophenyl)-N-[4-(3-methylpyrazol-1-yl)phenyl]acetamide
CID 35533172
N-[4-[3-methoxy-5-(2-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-phenylacetamide
CID 1029164

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide (CID 139426275) is N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide is Cc1cn(-c2ccc(NC(=O)Cc3ccccc3)cc2)cn1.
What is the InChIKey of N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide?
The InChIKey is RYBTYTMSDBTFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c1-14-12-21(13-19-14)17-9-7-16(8-10-17)20-18(22)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H,20,22).
What are the key properties of N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide?
N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide has a molecular weight of 291.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylimidazol-1-yl)phenyl]-2-phenylacetamide is sourced from PubChem (CID 139426275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).