ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate

C18H17N3O3 — CID 70718477

IUPACethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-n2ccnc2-c2cccc(O)c2)cc1
InChIInChI=1S/C18H17N3O3/c1-2-24-18(23)20-14-6-8-15(9-7-14)21-11-10-19-17(21)13-4-3-5-16(22)12-13/h3-12,22H,2H2,1H3,(H,20,23)
InChIKeyYQPVRXUKBKLAPB-UHFFFAOYSA-N
MW323.35 g/mol
LogP3.81
Rot. Bonds4

About ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate

ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate (PubChem CID 70718477) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate
PubChem CID70718477
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Nameethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate
SMILESCCOC(=O)Nc1ccc(-n2ccnc2-c2cccc(O)c2)cc1
InChIInChI=1S/C18H17N3O3/c1-2-24-18(23)20-14-6-8-15(9-7-14)21-11-10-19-17(21)13-4-3-5-16(22)12-13/h3-12,22H,2H2,1H3,(H,20,23)
InChIKeyYQPVRXUKBKLAPB-UHFFFAOYSA-N
XLogP3.81
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate?
The IUPAC name of ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate (CID 70718477) is ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate?
The canonical SMILES for ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate is CCOC(=O)Nc1ccc(-n2ccnc2-c2cccc(O)c2)cc1.
What is the InChIKey of ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate?
The InChIKey is YQPVRXUKBKLAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-2-24-18(23)20-14-6-8-15(9-7-14)21-11-10-19-17(21)13-4-3-5-16(22)12-13/h3-12,22H,2H2,1H3,(H,20,23).
What are the key properties of ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate?
ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate has a molecular weight of 323.35 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[2-(3-hydroxyphenyl)imidazol-1-yl]phenyl]carbamate is sourced from PubChem (CID 70718477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).