1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea

C13H16N2O2 — CID 2732038

IUPAC1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea
SMILESCc1oc2ccccc2c1CNC(=O)N(C)C
InChIInChI=1S/C13H16N2O2/c1-9-11(8-14-13(16)15(2)3)10-6-4-5-7-12(10)17-9/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeyRAPRTCMTKYNBKN-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.51
Rot. Bonds2

About 1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea

1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea (PubChem CID 2732038) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea
PubChem CID2732038
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea
SMILESCc1oc2ccccc2c1CNC(=O)N(C)C
InChIInChI=1S/C13H16N2O2/c1-9-11(8-14-13(16)15(2)3)10-6-4-5-7-12(10)17-9/h4-7H,8H2,1-3H3,(H,14,16)
InChIKeyRAPRTCMTKYNBKN-UHFFFAOYSA-N
XLogP2.51
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea?
The IUPAC name of 1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea (CID 2732038) is 1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea is Cc1oc2ccccc2c1CNC(=O)N(C)C.
What is the InChIKey of 1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea?
The InChIKey is RAPRTCMTKYNBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9-11(8-14-13(16)15(2)3)10-6-4-5-7-12(10)17-9/h4-7H,8H2,1-3H3,(H,14,16).
What are the key properties of 1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea?
1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea has a molecular weight of 232.28 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[(2-methyl-1-benzofuran-3-yl)methyl]urea is sourced from PubChem (CID 2732038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).