1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea

C23H23N3O3 — CID 86995980

IUPAC1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)NCC1Cc2ccccc2O1
InChIInChI=1S/C23H23N3O3/c27-23(26-15-20-13-19-8-4-5-9-21(19)29-20)25-14-18-10-11-24-22(12-18)28-16-17-6-2-1-3-7-17/h1-12,20H,13-16H2,(H2,25,26,27)
InChIKeyPJDSOZXFSDVTLF-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.46
Rot. Bonds7

About 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea

1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea (PubChem CID 86995980) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
PubChem CID86995980
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)NCC1Cc2ccccc2O1
InChIInChI=1S/C23H23N3O3/c27-23(26-15-20-13-19-8-4-5-9-21(19)29-20)25-14-18-10-11-24-22(12-18)28-16-17-6-2-1-3-7-17/h1-12,20H,13-16H2,(H2,25,26,27)
InChIKeyPJDSOZXFSDVTLF-UHFFFAOYSA-N
XLogP3.46
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-ylmethyl)-3-(2,3-dihydro-1-benzofuran-2-ylmethyl)urea
CID 51114097
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(3-nitrophenyl)methyl]urea
CID 86855198
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(6-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 51116943
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-methyl-3-[[2-(2,2,2-trifluoroethoxy)-4-pyridinyl]methyl]guanidine;hydroiodide
CID 111950446
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(dimethylamino)-3-pyridinyl]methyl]urea
CID 51082988
N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
CID 46466541
1-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-3-[(2-propan-2-yloxy-3-pyridinyl)methyl]urea
CID 94215493
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[[2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111949780
1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 87004224
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
1-[(2-phenylmethoxy-4-pyridinyl)methyl]-3-(quinolin-8-ylmethyl)urea
CID 86864428
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104043

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea (CID 86995980) is 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea is O=C(NCc1ccnc(OCc2ccccc2)c1)NCC1Cc2ccccc2O1.
What is the InChIKey of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea?
The InChIKey is PJDSOZXFSDVTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c27-23(26-15-20-13-19-8-4-5-9-21(19)29-20)25-14-18-10-11-24-22(12-18)28-16-17-6-2-1-3-7-17/h1-12,20H,13-16H2,(H2,25,26,27).
What are the key properties of 1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea?
1-(2,3-dihydro-1-benzofuran-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea has a molecular weight of 389.46 g/mol, XLogP of 3.46, 7 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-2-ylmethyl)-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea is sourced from PubChem (CID 86995980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).