1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea

C19H18N2O2 — CID 139008434

IUPAC1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea
SMILESCc1coc2ccc(NC(=O)NC3(c4ccccc4)CC3)cc12
InChIInChI=1S/C19H18N2O2/c1-13-12-23-17-8-7-15(11-16(13)17)20-18(22)21-19(9-10-19)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H2,20,21,22)
InChIKeyGVUWSJHCXQADFL-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.55
Rot. Bonds3

About 1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea

1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea (PubChem CID 139008434) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea.

Molecular Properties

Compound Name1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea
PubChem CID139008434
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea
SMILESCc1coc2ccc(NC(=O)NC3(c4ccccc4)CC3)cc12
InChIInChI=1S/C19H18N2O2/c1-13-12-23-17-8-7-15(11-16(13)17)20-18(22)21-19(9-10-19)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H2,20,21,22)
InChIKeyGVUWSJHCXQADFL-UHFFFAOYSA-N
XLogP4.55
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea?
The IUPAC name of 1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea (CID 139008434) is 1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea.
What is the SMILES notation for 1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea?
The canonical SMILES for 1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea is Cc1coc2ccc(NC(=O)NC3(c4ccccc4)CC3)cc12.
What is the InChIKey of 1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea?
The InChIKey is GVUWSJHCXQADFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13-12-23-17-8-7-15(11-16(13)17)20-18(22)21-19(9-10-19)14-5-3-2-4-6-14/h2-8,11-12H,9-10H2,1H3,(H2,20,21,22).
What are the key properties of 1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea?
1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea has a molecular weight of 306.37 g/mol, XLogP of 4.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-benzofuran-5-yl)-3-(1-phenylcyclopropyl)urea is sourced from PubChem (CID 139008434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).