ethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate

C25H31N3O2 — CID 10135965

IUPACethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate
SMILESCCOC(=O)NCCCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-3-30-25(29)26-18-12-4-5-13-19-28-20(2)27-23(21-14-8-6-9-15-21)24(28)22-16-10-7-11-17-22/h6-11,14-17H,3-5,12-13,18-19H2,1-2H3,(H,26,29)
InChIKeyGSVJWQNGCOHAMM-UHFFFAOYSA-N
MW405.54 g/mol
LogP5.83
Rot. Bonds10

About ethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate

ethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate (PubChem CID 10135965) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is ethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate.

Molecular Properties

Compound Nameethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate
PubChem CID10135965
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC Nameethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate
SMILESCCOC(=O)NCCCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C25H31N3O2/c1-3-30-25(29)26-18-12-4-5-13-19-28-20(2)27-23(21-14-8-6-9-15-21)24(28)22-16-10-7-11-17-22/h6-11,14-17H,3-5,12-13,18-19H2,1-2H3,(H,26,29)
InChIKeyGSVJWQNGCOHAMM-UHFFFAOYSA-N
XLogP5.83
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.54
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate?
The IUPAC name of ethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate (CID 10135965) is ethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate.
What is the SMILES notation for ethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate?
The canonical SMILES for ethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate is CCOC(=O)NCCCCCCn1c(C)nc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of ethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate?
The InChIKey is GSVJWQNGCOHAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-3-30-25(29)26-18-12-4-5-13-19-28-20(2)27-23(21-14-8-6-9-15-21)24(28)22-16-10-7-11-17-22/h6-11,14-17H,3-5,12-13,18-19H2,1-2H3,(H,26,29).
What are the key properties of ethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate?
ethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate has a molecular weight of 405.54 g/mol, XLogP of 5.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[6-(2-methyl-4,5-diphenylimidazol-1-yl)hexyl]carbamate is sourced from PubChem (CID 10135965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).