7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one

C28H28N2O — CID 10179650

IUPAC7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one
SMILESO=C(CCCCCn1cnc(-c2ccccc2)c1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H28N2O/c31-26(21-23-13-5-1-6-14-23)19-11-4-12-20-30-22-29-27(24-15-7-2-8-16-24)28(30)25-17-9-3-10-18-25/h1-3,5-10,13-18,22H,4,11-12,19-21H2
InChIKeyUKLCEYCSDDBFHW-UHFFFAOYSA-N
MW408.55 g/mol
LogP6.59
Rot. Bonds10

About 7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one

7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one (PubChem CID 10179650) has the molecular formula C28H28N2O and a molecular weight of 408.55 g/mol. Its IUPAC name is 7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one.

Molecular Properties

Compound Name7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one
PubChem CID10179650
Molecular FormulaC28H28N2O
Molecular Weight408.55 g/mol
Exact Mass408.22
IUPAC Name7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one
SMILESO=C(CCCCCn1cnc(-c2ccccc2)c1-c1ccccc1)Cc1ccccc1
InChIInChI=1S/C28H28N2O/c31-26(21-23-13-5-1-6-14-23)19-11-4-12-20-30-22-29-27(24-15-7-2-8-16-24)28(30)25-17-9-3-10-18-25/h1-3,5-10,13-18,22H,4,11-12,19-21H2
InChIKeyUKLCEYCSDDBFHW-UHFFFAOYSA-N
XLogP6.59
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.55
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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1-[[2-[(4,5-diphenylimidazol-1-yl)methyl]phenyl]methyl]-4,5-diphenylimidazole
CID 15794352
1-phenylheptadecan-2-one
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1-phenyldecane-2,9-dione
CID 146832793
methyl 4-[5-(4-cyanophenyl)-4-phenylimidazol-1-yl]butanoate
CID 50952859
1-[5-[(4-methoxyphenyl)methoxy]pentyl]-4,5-diphenylimidazole
CID 10202731
2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide
CID 50984888
4,5-diphenyl-1H-imidazole;2-(2-methoxyethoxy)ethyl 8-(4,5-diphenylimidazol-1-yl)octanoate
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6-amino-1-phenylhexan-2-one
CID 57063081

Frequently Asked Questions

What is the IUPAC name of 7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one?
The IUPAC name of 7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one (CID 10179650) is 7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one.
What is the SMILES notation for 7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one?
The canonical SMILES for 7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one is O=C(CCCCCn1cnc(-c2ccccc2)c1-c1ccccc1)Cc1ccccc1.
What is the InChIKey of 7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one?
The InChIKey is UKLCEYCSDDBFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O/c31-26(21-23-13-5-1-6-14-23)19-11-4-12-20-30-22-29-27(24-15-7-2-8-16-24)28(30)25-17-9-3-10-18-25/h1-3,5-10,13-18,22H,4,11-12,19-21H2.
What are the key properties of 7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one?
7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one has a molecular weight of 408.55 g/mol, XLogP of 6.59, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5-diphenylimidazol-1-yl)-1-phenylheptan-2-one is sourced from PubChem (CID 10179650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).