2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate

C23H27N3O2 — CID 22130924

IUPAC2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate
SMILESCC(C)c1nc(CCOC(N)=O)n(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C23H27N3O2/c1-17(2)22-20(15-18-9-5-3-6-10-18)26(16-19-11-7-4-8-12-19)21(25-22)13-14-28-23(24)27/h3-12,17H,13-16H2,1-2H3,(H2,24,27)
InChIKeyAYBDDIQVCIGVSG-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.28
Rot. Bonds8

About 2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate

2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate (PubChem CID 22130924) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate.

Molecular Properties

Compound Name2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate
PubChem CID22130924
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate
SMILESCC(C)c1nc(CCOC(N)=O)n(Cc2ccccc2)c1Cc1ccccc1
InChIInChI=1S/C23H27N3O2/c1-17(2)22-20(15-18-9-5-3-6-10-18)26(16-19-11-7-4-8-12-19)21(25-22)13-14-28-23(24)27/h3-12,17H,13-16H2,1-2H3,(H2,24,27)
InChIKeyAYBDDIQVCIGVSG-UHFFFAOYSA-N
XLogP4.28
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate?
The IUPAC name of 2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate (CID 22130924) is 2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate.
What is the SMILES notation for 2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate?
The canonical SMILES for 2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate is CC(C)c1nc(CCOC(N)=O)n(Cc2ccccc2)c1Cc1ccccc1.
What is the InChIKey of 2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate?
The InChIKey is AYBDDIQVCIGVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17(2)22-20(15-18-9-5-3-6-10-18)26(16-19-11-7-4-8-12-19)21(25-22)13-14-28-23(24)27/h3-12,17H,13-16H2,1-2H3,(H2,24,27).
What are the key properties of 2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate?
2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate has a molecular weight of 377.49 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dibenzyl-4-propan-2-ylimidazol-2-yl)ethyl carbamate is sourced from PubChem (CID 22130924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).