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

C23H26N2O — CID 20586116

IUPAC7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one
SMILESCC(=O)CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H26N2O/c1-18(26)12-6-5-11-17-25-19(2)24-22(20-13-7-3-8-14-20)23(25)21-15-9-4-10-16-21/h3-4,7-10,13-16H,5-6,11-12,17H2,1-2H3
InChIKeyPENLQZRNXJROQI-UHFFFAOYSA-N
MW346.47 g/mol
LogP5.67
Rot. Bonds8

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

7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one (PubChem CID 20586116) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one.

Molecular Properties

Compound Name7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one
PubChem CID20586116
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one
SMILESCC(=O)CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C23H26N2O/c1-18(26)12-6-5-11-17-25-19(2)24-22(20-13-7-3-8-14-20)23(25)21-15-9-4-10-16-21/h3-4,7-10,13-16H,5-6,11-12,17H2,1-2H3
InChIKeyPENLQZRNXJROQI-UHFFFAOYSA-N
XLogP5.67
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.47
LogP ≤ 55.67
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

ethyl 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptanoate
CID 59926126
5-(2-methyl-4,5-diphenylimidazol-1-yl)pentylcarbamic acid
CID 18537524
7-(2,4,5-triphenylimidazol-1-yl)heptanoic acid
CID 22916430
dihydroxy(oxo)phosphanium;1-heptyl-2,4,5-triphenylimidazole
CID 70277555
5-(2-methylbenzo[f]benzimidazol-3-yl)pentan-2-one
CID 167583798
5-(4-methyl-5-phenyltriazol-1-yl)pentan-2-one
CID 167574647
5-(5-methyl-4-phenyltriazol-1-yl)pentan-2-one
CID 167610967
4-[4-(2,4,5-triphenylimidazol-1-yl)butoxy]benzoic acid
CID 22916453
4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutanoic acid
CID 42725662
7-(4,5-diphenyltriazol-2-yl)heptanoic acid
CID 71344331
5-(5-chloro-2-methylbenzimidazol-1-yl)pentan-2-one
CID 167596718
8-(4,5-diphenyltriazol-1-yl)octanoic acid
CID 22916407

Frequently Asked Questions

What is the IUPAC name of 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one?
The IUPAC name of 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one (CID 20586116) is 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one.
What is the SMILES notation for 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one?
The canonical SMILES for 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one is CC(=O)CCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one?
The InChIKey is PENLQZRNXJROQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-18(26)12-6-5-11-17-25-19(2)24-22(20-13-7-3-8-14-20)23(25)21-15-9-4-10-16-21/h3-4,7-10,13-16H,5-6,11-12,17H2,1-2H3.
What are the key properties of 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one?
7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one has a molecular weight of 346.47 g/mol, XLogP of 5.67, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methyl-4,5-diphenylimidazol-1-yl)heptan-2-one is sourced from PubChem (CID 20586116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).