[5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate

C17H18N4O4 — CID 175073848

IUPAC[5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate
SMILESCOc1ccc(CN2CCN(c3cncc(OC(N)=O)c3)C2=O)cc1
InChIInChI=1S/C17H18N4O4/c1-24-14-4-2-12(3-5-14)11-20-6-7-21(17(20)23)13-8-15(10-19-9-13)25-16(18)22/h2-5,8-10H,6-7,11H2,1H3,(H2,18,22)
InChIKeyMSEJMZFQFYBDEL-UHFFFAOYSA-N
MW342.36 g/mol
LogP1.99
Rot. Bonds5

About [5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate

[5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate (PubChem CID 175073848) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is [5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate.

Molecular Properties

Compound Name[5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate
PubChem CID175073848
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name[5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate
SMILESCOc1ccc(CN2CCN(c3cncc(OC(N)=O)c3)C2=O)cc1
InChIInChI=1S/C17H18N4O4/c1-24-14-4-2-12(3-5-14)11-20-6-7-21(17(20)23)13-8-15(10-19-9-13)25-16(18)22/h2-5,8-10H,6-7,11H2,1H3,(H2,18,22)
InChIKeyMSEJMZFQFYBDEL-UHFFFAOYSA-N
XLogP1.99
TPSA97.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate?
The IUPAC name of [5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate (CID 175073848) is [5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate.
What is the SMILES notation for [5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate?
The canonical SMILES for [5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate is COc1ccc(CN2CCN(c3cncc(OC(N)=O)c3)C2=O)cc1.
What is the InChIKey of [5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate?
The InChIKey is MSEJMZFQFYBDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-24-14-4-2-12(3-5-14)11-20-6-7-21(17(20)23)13-8-15(10-19-9-13)25-16(18)22/h2-5,8-10H,6-7,11H2,1H3,(H2,18,22).
What are the key properties of [5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate?
[5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate has a molecular weight of 342.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-[(4-methoxyphenyl)methyl]-2-oxoimidazolidin-1-yl]-3-pyridinyl] carbamate is sourced from PubChem (CID 175073848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).