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

C27H24N4O2 — CID 22291391

IUPACphenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate
SMILESCCc1nc(-c2ccc(C#N)cc2)cn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C27H24N4O2/c1-2-26-30-25(22-12-8-21(18-28)9-13-22)19-31(26)23-14-10-20(11-15-23)16-17-29-27(32)33-24-6-4-3-5-7-24/h3-15,19H,2,16-17H2,1H3,(H,29,32)
InChIKeyODRJSZCBXSIZGQ-UHFFFAOYSA-N
MW436.52 g/mol
LogP5.30
Rot. Bonds7

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

phenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate (PubChem CID 22291391) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is phenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate.

Molecular Properties

Compound Namephenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate
PubChem CID22291391
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Namephenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate
SMILESCCc1nc(-c2ccc(C#N)cc2)cn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1
InChIInChI=1S/C27H24N4O2/c1-2-26-30-25(22-12-8-21(18-28)9-13-22)19-31(26)23-14-10-20(11-15-23)16-17-29-27(32)33-24-6-4-3-5-7-24/h3-15,19H,2,16-17H2,1H3,(H,29,32)
InChIKeyODRJSZCBXSIZGQ-UHFFFAOYSA-N
XLogP5.30
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate?
The IUPAC name of phenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate (CID 22291391) is phenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate.
What is the SMILES notation for phenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate?
The canonical SMILES for phenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate is CCc1nc(-c2ccc(C#N)cc2)cn1-c1ccc(CCNC(=O)Oc2ccccc2)cc1.
What is the InChIKey of phenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate?
The InChIKey is ODRJSZCBXSIZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-2-26-30-25(22-12-8-21(18-28)9-13-22)19-31(26)23-14-10-20(11-15-23)16-17-29-27(32)33-24-6-4-3-5-7-24/h3-15,19H,2,16-17H2,1H3,(H,29,32).
What are the key properties of phenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate?
phenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate has a molecular weight of 436.52 g/mol, XLogP of 5.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[2-[4-[4-(4-cyanophenyl)-2-ethylimidazol-1-yl]phenyl]ethyl]carbamate is sourced from PubChem (CID 22291391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).