N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide

C24H29N3O2 — CID 126765706

IUPACN-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nc(Cc2ccc(C)cc2)c(Cc2ccc(O)cc2)n1C
InChIInChI=1S/C24H29N3O2/c1-5-17(3)23(29)26-24-25-21(14-18-8-6-16(2)7-9-18)22(27(24)4)15-19-10-12-20(28)13-11-19/h6-13,17,28H,5,14-15H2,1-4H3,(H,25,26,29)
InChIKeyTVXAKNHVLIABQY-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.60
Rot. Bonds7

About N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide

N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide (PubChem CID 126765706) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide
PubChem CID126765706
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC NameN-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide
SMILESCCC(C)C(=O)Nc1nc(Cc2ccc(C)cc2)c(Cc2ccc(O)cc2)n1C
InChIInChI=1S/C24H29N3O2/c1-5-17(3)23(29)26-24-25-21(14-18-8-6-16(2)7-9-18)22(27(24)4)15-19-10-12-20(28)13-11-19/h6-13,17,28H,5,14-15H2,1-4H3,(H,25,26,29)
InChIKeyTVXAKNHVLIABQY-UHFFFAOYSA-N
XLogP4.60
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide?
The IUPAC name of N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide (CID 126765706) is N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide.
What is the SMILES notation for N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide?
The canonical SMILES for N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide is CCC(C)C(=O)Nc1nc(Cc2ccc(C)cc2)c(Cc2ccc(O)cc2)n1C.
What is the InChIKey of N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide?
The InChIKey is TVXAKNHVLIABQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-5-17(3)23(29)26-24-25-21(14-18-8-6-16(2)7-9-18)22(27(24)4)15-19-10-12-20(28)13-11-19/h6-13,17,28H,5,14-15H2,1-4H3,(H,25,26,29).
What are the key properties of N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide?
N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide has a molecular weight of 391.52 g/mol, XLogP of 4.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-hydroxyphenyl)methyl]-1-methyl-4-[(4-methylphenyl)methyl]imidazol-2-yl]-2-methylbutanamide is sourced from PubChem (CID 126765706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).