4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide

C17H15N3O2 — CID 66682655

IUPAC4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccc(O)cc2)c1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-19(14-5-3-2-4-6-14)17(22)20-11-16(18-12-20)13-7-9-15(21)10-8-13/h2-12,21H,1H3
InChIKeyXFZOJWGYSMZERQ-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.36
Rot. Bonds2

About 4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide

4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide (PubChem CID 66682655) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide.

Molecular Properties

Compound Name4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide
PubChem CID66682655
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide
SMILESCN(C(=O)n1cnc(-c2ccc(O)cc2)c1)c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-19(14-5-3-2-4-6-14)17(22)20-11-16(18-12-20)13-7-9-15(21)10-8-13/h2-12,21H,1H3
InChIKeyXFZOJWGYSMZERQ-UHFFFAOYSA-N
XLogP3.36
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide?
The IUPAC name of 4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide (CID 66682655) is 4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide.
What is the SMILES notation for 4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide?
The canonical SMILES for 4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide is CN(C(=O)n1cnc(-c2ccc(O)cc2)c1)c1ccccc1.
What is the InChIKey of 4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide?
The InChIKey is XFZOJWGYSMZERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-19(14-5-3-2-4-6-14)17(22)20-11-16(18-12-20)13-7-9-15(21)10-8-13/h2-12,21H,1H3.
What are the key properties of 4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide?
4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxyphenyl)-N-methyl-N-phenylimidazole-1-carboxamide is sourced from PubChem (CID 66682655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).