1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea

C18H16N2O2 — CID 5330591

IUPAC1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(NCc1ccccc1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C18H16N2O2/c21-15-10-9-14-7-4-8-17(16(14)11-15)20-18(22)19-12-13-5-2-1-3-6-13/h1-11,21H,12H2,(H2,19,20,22)
InChIKeyNTZXOVWJUVTXIF-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.87
Rot. Bonds3

About 1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea

1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea (PubChem CID 5330591) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea
PubChem CID5330591
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(NCc1ccccc1)Nc1cccc2ccc(O)cc12
InChIInChI=1S/C18H16N2O2/c21-15-10-9-14-7-4-8-17(16(14)11-15)20-18(22)19-12-13-5-2-1-3-6-13/h1-11,21H,12H2,(H2,19,20,22)
InChIKeyNTZXOVWJUVTXIF-UHFFFAOYSA-N
XLogP3.87
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea (CID 5330591) is 1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea is O=C(NCc1ccccc1)Nc1cccc2ccc(O)cc12.
What is the InChIKey of 1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea?
The InChIKey is NTZXOVWJUVTXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-15-10-9-14-7-4-8-17(16(14)11-15)20-18(22)19-12-13-5-2-1-3-6-13/h1-11,21H,12H2,(H2,19,20,22).
What are the key properties of 1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea?
1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea has a molecular weight of 292.34 g/mol, XLogP of 3.87, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 5330591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).