1-benzyl-1-methylurea

C9H12N2O — CID 15676016

IUPAC1-benzyl-1-methylurea
SMILESCN(Cc1ccccc1)C(N)=O
InChIInChI=1S/C9H12N2O/c1-11(9(10)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,12)
InChIKeyKDLKRQZILLTMDF-UHFFFAOYSA-N
MW164.21 g/mol
LogP1.20
Rot. Bonds2

About 1-benzyl-1-methylurea

1-benzyl-1-methylurea (PubChem CID 15676016) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is 1-benzyl-1-methylurea.

Molecular Properties

Compound Name1-benzyl-1-methylurea
PubChem CID15676016
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name1-benzyl-1-methylurea
SMILESCN(Cc1ccccc1)C(N)=O
InChIInChI=1S/C9H12N2O/c1-11(9(10)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,12)
InChIKeyKDLKRQZILLTMDF-UHFFFAOYSA-N
XLogP1.20
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-1-methylurea?
The IUPAC name of 1-benzyl-1-methylurea (CID 15676016) is 1-benzyl-1-methylurea.
What is the SMILES notation for 1-benzyl-1-methylurea?
The canonical SMILES for 1-benzyl-1-methylurea is CN(Cc1ccccc1)C(N)=O.
What is the InChIKey of 1-benzyl-1-methylurea?
The InChIKey is KDLKRQZILLTMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c1-11(9(10)12)7-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H2,10,12).
What are the key properties of 1-benzyl-1-methylurea?
1-benzyl-1-methylurea has a molecular weight of 164.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-1-methylurea is sourced from PubChem (CID 15676016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).