1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole

C35H52N2 — CID 69397932

IUPAC1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole
SMILESCCCCCCCCCCCCCCC(c1nccn1CC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C35H52N2/c1-4-6-7-8-9-10-11-12-13-14-15-22-27-33(34-36-28-29-37(34)5-2)35(3,32-25-20-17-21-26-32)30-31-23-18-16-19-24-31/h16-21,23-26,28-29,33H,4-15,22,27,30H2,1-3H3
InChIKeyDDSNDWZBRBMUND-UHFFFAOYSA-N
MW500.82 g/mol
LogP10.28
Rot. Bonds19

About 1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole

1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole (PubChem CID 69397932) has the molecular formula C35H52N2 and a molecular weight of 500.82 g/mol. Its IUPAC name is 1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole.

Molecular Properties

Compound Name1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole
PubChem CID69397932
Molecular FormulaC35H52N2
Molecular Weight500.82 g/mol
Exact Mass500.41
IUPAC Name1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole
SMILESCCCCCCCCCCCCCCC(c1nccn1CC)C(C)(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C35H52N2/c1-4-6-7-8-9-10-11-12-13-14-15-22-27-33(34-36-28-29-37(34)5-2)35(3,32-25-20-17-21-26-32)30-31-23-18-16-19-24-31/h16-21,23-26,28-29,33H,4-15,22,27,30H2,1-3H3
InChIKeyDDSNDWZBRBMUND-UHFFFAOYSA-N
XLogP10.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.82
LogP ≤ 510.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole
CID 69397916
2-(2-methyl-1,2-diphenylicosan-3-yl)-1-pentylimidazole
CID 69389553
2-(2-methyl-1,2-diphenylpentadecan-3-yl)-1-pentylimidazole
CID 69390029
1-hexyl-2-(2-methyl-1,2-diphenyloctan-3-yl)imidazole
CID 69386928
2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-tridecylimidazole
CID 69395057
1-hexyl-2-(2-methyl-1,2-diphenyloctadecan-3-yl)imidazole
CID 69394432
1-hexyl-2-(2-methyl-1,2-diphenylnonan-3-yl)imidazole
CID 69393943
2-(2-methyl-1,2-diphenyldecan-3-yl)-1-undecylimidazole
CID 69393726
2-(2-methyl-1,2-diphenylheptadecan-3-yl)-1-octadecylimidazole
CID 69395580
2-(2-methyl-1,2-diphenyltetradecan-3-yl)-1-nonylimidazole
CID 69394767
2-(2-methyl-1,2-diphenylnonadecan-3-yl)-1-octadecylimidazole
CID 69393145
2-(2-methyl-1,2-diphenylhexadecan-3-yl)-1-tridecylimidazole
CID 69398198

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole?
The IUPAC name of 1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole (CID 69397932) is 1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole.
What is the SMILES notation for 1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole?
The canonical SMILES for 1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole is CCCCCCCCCCCCCCC(c1nccn1CC)C(C)(Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole?
The InChIKey is DDSNDWZBRBMUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H52N2/c1-4-6-7-8-9-10-11-12-13-14-15-22-27-33(34-36-28-29-37(34)5-2)35(3,32-25-20-17-21-26-32)30-31-23-18-16-19-24-31/h16-21,23-26,28-29,33H,4-15,22,27,30H2,1-3H3.
What are the key properties of 1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole?
1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole has a molecular weight of 500.82 g/mol, XLogP of 10.28, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-(2-methyl-1,2-diphenylheptadecan-3-yl)imidazole is sourced from PubChem (CID 69397932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).