1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea

C24H23N3O3 — CID 86960076

IUPAC1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
SMILESCc1c(CNC(=O)NCc2ccc(OCc3ccccn3)cc2)oc2ccccc12
InChIInChI=1S/C24H23N3O3/c1-17-21-7-2-3-8-22(21)30-23(17)15-27-24(28)26-14-18-9-11-20(12-10-18)29-16-19-6-4-5-13-25-19/h2-13H,14-16H2,1H3,(H2,26,27,28)
InChIKeyHYSGLCMCXXYEMI-UHFFFAOYSA-N
MW401.47 g/mol
LogP4.71
Rot. Bonds7

About 1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea

1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea (PubChem CID 86960076) has the molecular formula C24H23N3O3 and a molecular weight of 401.47 g/mol. Its IUPAC name is 1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
PubChem CID86960076
Molecular FormulaC24H23N3O3
Molecular Weight401.47 g/mol
Exact Mass401.17
IUPAC Name1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
SMILESCc1c(CNC(=O)NCc2ccc(OCc3ccccn3)cc2)oc2ccccc12
InChIInChI=1S/C24H23N3O3/c1-17-21-7-2-3-8-22(21)30-23(17)15-27-24(28)26-14-18-9-11-20(12-10-18)29-16-19-6-4-5-13-25-19/h2-13H,14-16H2,1H3,(H2,26,27,28)
InChIKeyHYSGLCMCXXYEMI-UHFFFAOYSA-N
XLogP4.71
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea with MolForge

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Related Compounds

2-methyl-1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]guanidine
CID 111603543
1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[(4-methylsulfanylphenyl)methyl]urea
CID 86960098
1-[2-(dimethylamino)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009605
1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86952310
1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009807
2-[(4-methylphenyl)methylcarbamoylamino]-N-[[3-(pyridin-2-ylmethoxy)phenyl]methyl]acetamide
CID 46467326
2-amino-N-[(3-methyl-1-benzofuran-2-yl)methyl]acetamide
CID 83620719
1-[4-(cyanomethyl)phenyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009274
5-[(4-fluorophenoxy)methyl]-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]furan-2-carboxamide
CID 55902012
1-(2-chloro-4-methoxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 86862763
2-naphthalen-1-yl-N-[2-oxo-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylamino]ethyl]acetamide
CID 56798152
1,5-dimethyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]pyrazole-4-carboxamide
CID 87047264

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The IUPAC name of 1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea (CID 86960076) is 1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea is Cc1c(CNC(=O)NCc2ccc(OCc3ccccn3)cc2)oc2ccccc12.
What is the InChIKey of 1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
The InChIKey is HYSGLCMCXXYEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O3/c1-17-21-7-2-3-8-22(21)30-23(17)15-27-24(28)26-14-18-9-11-20(12-10-18)29-16-19-6-4-5-13-25-19/h2-13H,14-16H2,1H3,(H2,26,27,28).
What are the key properties of 1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea?
1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea has a molecular weight of 401.47 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1-benzofuran-2-yl)methyl]-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea is sourced from PubChem (CID 86960076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).