1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea

C20H18N4O2 — CID 21145242

IUPAC1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea
SMILES[H]/N=C(\N)c1ccccc1NC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H18N4O2/c21-19(22)15-10-4-5-11-16(15)23-20(25)24-17-12-6-7-13-18(17)26-14-8-2-1-3-9-14/h1-13H,(H3,21,22)(H2,23,24,25)
InChIKeyPDCLAPYWWKXEPW-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.41
Rot. Bonds5

About 1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea

1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea (PubChem CID 21145242) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea.

Molecular Properties

Compound Name1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea
PubChem CID21145242
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea
SMILES[H]/N=C(\N)c1ccccc1NC(=O)Nc1ccccc1Oc1ccccc1
InChIInChI=1S/C20H18N4O2/c21-19(22)15-10-4-5-11-16(15)23-20(25)24-17-12-6-7-13-18(17)26-14-8-2-1-3-9-14/h1-13H,(H3,21,22)(H2,23,24,25)
InChIKeyPDCLAPYWWKXEPW-UHFFFAOYSA-N
XLogP4.41
TPSA100.23 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea?
The IUPAC name of 1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea (CID 21145242) is 1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea.
What is the SMILES notation for 1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea?
The canonical SMILES for 1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea is [H]/N=C(\N)c1ccccc1NC(=O)Nc1ccccc1Oc1ccccc1.
What is the InChIKey of 1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea?
The InChIKey is PDCLAPYWWKXEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c21-19(22)15-10-4-5-11-16(15)23-20(25)24-17-12-6-7-13-18(17)26-14-8-2-1-3-9-14/h1-13H,(H3,21,22)(H2,23,24,25).
What are the key properties of 1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea?
1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea has a molecular weight of 346.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-carbamimidoylphenyl)-3-(2-phenoxyphenyl)urea is sourced from PubChem (CID 21145242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).