(3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid

C12H15N3O3 — CID 70524007

IUPAC(3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid
SMILESCC1CN(N(C(=O)O)c2ccccc2)C(=O)N1C
InChIInChI=1S/C12H15N3O3/c1-9-8-14(11(16)13(9)2)15(12(17)18)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyLXIFHIMCMSBUFL-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.84
Rot. Bonds2

About (3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid

(3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid (PubChem CID 70524007) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is (3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid.

Molecular Properties

Compound Name(3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid
PubChem CID70524007
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name(3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid
SMILESCC1CN(N(C(=O)O)c2ccccc2)C(=O)N1C
InChIInChI=1S/C12H15N3O3/c1-9-8-14(11(16)13(9)2)15(12(17)18)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,18)
InChIKeyLXIFHIMCMSBUFL-UHFFFAOYSA-N
XLogP1.84
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid?
The IUPAC name of (3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid (CID 70524007) is (3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid.
What is the SMILES notation for (3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid?
The canonical SMILES for (3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid is CC1CN(N(C(=O)O)c2ccccc2)C(=O)N1C.
What is the InChIKey of (3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid?
The InChIKey is LXIFHIMCMSBUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-9-8-14(11(16)13(9)2)15(12(17)18)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,17,18).
What are the key properties of (3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid?
(3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid has a molecular weight of 249.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-2-oxoimidazolidin-1-yl)-phenylcarbamic acid is sourced from PubChem (CID 70524007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).