1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea

C19H20N4O2 — CID 70940292

IUPAC1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
SMILESCN1CCN=C1c1cccc(NC(=O)Nc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H20N4O2/c1-23-9-8-20-18(23)14-3-2-4-15(12-14)21-19(24)22-16-5-6-17-13(11-16)7-10-25-17/h2-6,11-12H,7-10H2,1H3,(H2,21,22,24)
InChIKeyOXIUUCZUOOYSCW-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.96
Rot. Bonds3

About 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea

1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea (PubChem CID 70940292) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
PubChem CID70940292
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea
SMILESCN1CCN=C1c1cccc(NC(=O)Nc2ccc3c(c2)CCO3)c1
InChIInChI=1S/C19H20N4O2/c1-23-9-8-20-18(23)14-3-2-4-15(12-14)21-19(24)22-16-5-6-17-13(11-16)7-10-25-17/h2-6,11-12H,7-10H2,1H3,(H2,21,22,24)
InChIKeyOXIUUCZUOOYSCW-UHFFFAOYSA-N
XLogP2.96
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea (CID 70940292) is 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea is CN1CCN=C1c1cccc(NC(=O)Nc2ccc3c(c2)CCO3)c1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea?
The InChIKey is OXIUUCZUOOYSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-23-9-8-20-18(23)14-3-2-4-15(12-14)21-19(24)22-16-5-6-17-13(11-16)7-10-25-17/h2-6,11-12H,7-10H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea?
1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea has a molecular weight of 336.40 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzofuran-5-yl)-3-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]urea is sourced from PubChem (CID 70940292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).