methyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid

C20H23N3O3 — CID 69079018

IUPACmethyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid
SMILESCc1ccccc1CN1CCN(Cc2ccc(N(C)C(=O)O)cc2)C1=O
InChIInChI=1S/C20H23N3O3/c1-15-5-3-4-6-17(15)14-23-12-11-22(19(23)24)13-16-7-9-18(10-8-16)21(2)20(25)26/h3-10H,11-14H2,1-2H3,(H,25,26)
InChIKeyQDXMFPUYACGQHI-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.55
Rot. Bonds5

About methyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid

methyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid (PubChem CID 69079018) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is methyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid.

Molecular Properties

Compound Namemethyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid
PubChem CID69079018
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Namemethyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid
SMILESCc1ccccc1CN1CCN(Cc2ccc(N(C)C(=O)O)cc2)C1=O
InChIInChI=1S/C20H23N3O3/c1-15-5-3-4-6-17(15)14-23-12-11-22(19(23)24)13-16-7-9-18(10-8-16)21(2)20(25)26/h3-10H,11-14H2,1-2H3,(H,25,26)
InChIKeyQDXMFPUYACGQHI-UHFFFAOYSA-N
XLogP3.55
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid?
The IUPAC name of methyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid (CID 69079018) is methyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid.
What is the SMILES notation for methyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid?
The canonical SMILES for methyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid is Cc1ccccc1CN1CCN(Cc2ccc(N(C)C(=O)O)cc2)C1=O.
What is the InChIKey of methyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid?
The InChIKey is QDXMFPUYACGQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-15-5-3-4-6-17(15)14-23-12-11-22(19(23)24)13-16-7-9-18(10-8-16)21(2)20(25)26/h3-10H,11-14H2,1-2H3,(H,25,26).
What are the key properties of methyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid?
methyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid has a molecular weight of 353.42 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[4-[[3-[(2-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]methyl]phenyl]carbamic acid is sourced from PubChem (CID 69079018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).