N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide

C33H28N4O — CID 139923892

IUPACN-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2nc(CN3CCN=C3c3ccccc3)ccc2c1
InChIInChI=1S/C33H28N4O/c38-32(21-24-11-13-26(14-12-24)25-7-3-1-4-8-25)36-29-17-18-31-28(22-29)15-16-30(35-31)23-37-20-19-34-33(37)27-9-5-2-6-10-27/h1-18,22H,19-21,23H2,(H,36,38)
InChIKeyLLPIVXIADFXCBN-UHFFFAOYSA-N
MW496.61 g/mol
LogP6.35
Rot. Bonds7

About N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide

N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide (PubChem CID 139923892) has the molecular formula C33H28N4O and a molecular weight of 496.61 g/mol. Its IUPAC name is N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide
PubChem CID139923892
Molecular FormulaC33H28N4O
Molecular Weight496.61 g/mol
Exact Mass496.23
IUPAC NameN-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2nc(CN3CCN=C3c3ccccc3)ccc2c1
InChIInChI=1S/C33H28N4O/c38-32(21-24-11-13-26(14-12-24)25-7-3-1-4-8-25)36-29-17-18-31-28(22-29)15-16-30(35-31)23-37-20-19-34-33(37)27-9-5-2-6-10-27/h1-18,22H,19-21,23H2,(H,36,38)
InChIKeyLLPIVXIADFXCBN-UHFFFAOYSA-N
XLogP6.35
TPSA57.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide?
The IUPAC name of N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide (CID 139923892) is N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide.
What is the SMILES notation for N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide?
The canonical SMILES for N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide is O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2nc(CN3CCN=C3c3ccccc3)ccc2c1.
What is the InChIKey of N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide?
The InChIKey is LLPIVXIADFXCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N4O/c38-32(21-24-11-13-26(14-12-24)25-7-3-1-4-8-25)36-29-17-18-31-28(22-29)15-16-30(35-31)23-37-20-19-34-33(37)27-9-5-2-6-10-27/h1-18,22H,19-21,23H2,(H,36,38).
What are the key properties of N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide?
N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide has a molecular weight of 496.61 g/mol, XLogP of 6.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-phenyl-4,5-dihydroimidazol-1-yl)methyl]quinolin-6-yl]-2-(4-phenylphenyl)acetamide is sourced from PubChem (CID 139923892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).