phenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate

C26H25N3O2 — CID 22291379

IUPACphenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate
SMILESCCc1nc(-c2ccccc2)cn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C26H25N3O2/c1-2-25-28-24(21-9-5-3-6-10-21)19-29(25)22-15-13-20(14-16-22)17-18-27-26(30)31-23-11-7-4-8-12-23/h3-16,19H,2,17-18H2,1H3,(H,27,30)
InChIKeyDIYVEIFNQFPDPP-UHFFFAOYSA-N
MW411.51 g/mol
LogP5.43
Rot. Bonds7

About phenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate

phenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate (PubChem CID 22291379) has the molecular formula C26H25N3O2 and a molecular weight of 411.51 g/mol. Its IUPAC name is phenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate
PubChem CID22291379
Molecular FormulaC26H25N3O2
Molecular Weight411.51 g/mol
Exact Mass411.19
IUPAC Namephenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate
SMILESCCc1nc(-c2ccccc2)cn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C26H25N3O2/c1-2-25-28-24(21-9-5-3-6-10-21)19-29(25)22-15-13-20(14-16-22)17-18-27-26(30)31-23-11-7-4-8-12-23/h3-16,19H,2,17-18H2,1H3,(H,27,30)
InChIKeyDIYVEIFNQFPDPP-UHFFFAOYSA-N
XLogP5.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate (CID 22291379) is phenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate is CCc1nc(-c2ccccc2)cn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate?
The InChIKey is DIYVEIFNQFPDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O2/c1-2-25-28-24(21-9-5-3-6-10-21)19-29(25)22-15-13-20(14-16-22)17-18-27-26(30)31-23-11-7-4-8-12-23/h3-16,19H,2,17-18H2,1H3,(H,27,30).
What are the key properties of phenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate?
phenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate has a molecular weight of 411.51 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[4-(2-ethyl-4-phenylimidazol-1-yl)phenyl]ethyl]carbamate is sourced from PubChem (CID 22291379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).