1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea

C21H16N2O2 — CID 91060621

IUPAC1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
SMILESO=C(Nc1ccc2ccccc2c1)Nc1cccc2cc(O)ccc12
InChIInChI=1S/C21H16N2O2/c24-18-10-11-19-16(13-18)6-3-7-20(19)23-21(25)22-17-9-8-14-4-1-2-5-15(14)12-17/h1-13,24H,(H2,22,23,25)
InChIKeyMGRBJAWATQWYJC-UHFFFAOYSA-N
MW328.37 g/mol
LogP5.34
Rot. Bonds2

About 1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea

1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea (PubChem CID 91060621) has the molecular formula C21H16N2O2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea.

Molecular Properties

Compound Name1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
PubChem CID91060621
Molecular FormulaC21H16N2O2
Molecular Weight328.37 g/mol
Exact Mass328.12
IUPAC Name1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
SMILESO=C(Nc1ccc2ccccc2c1)Nc1cccc2cc(O)ccc12
InChIInChI=1S/C21H16N2O2/c24-18-10-11-19-16(13-18)6-3-7-20(19)23-21(25)22-17-9-8-14-4-1-2-5-15(14)12-17/h1-13,24H,(H2,22,23,25)
InChIKeyMGRBJAWATQWYJC-UHFFFAOYSA-N
XLogP5.34
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.37
LogP ≤ 55.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea 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-(7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90803525
3-[(6-hydroxynaphthalen-1-yl)carbamoylamino]-N-methylbenzamide
CID 91416891
1-(7-hydroxynaphthalen-1-yl)-3-(4-phenoxyphenyl)urea
CID 10133734
1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54581582
1-(3,5-dihydroxyphenyl)-3-naphthalen-2-ylurea
CID 108895519
1-naphthalen-1-yl-3-[4-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 23966866
1-(2,4-dibromo-7-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea
CID 90741170
1-(7-hydroxynaphthalen-1-yl)-3-(3-methylphenyl)urea
CID 54581579
N-(6-hydroxynaphthalen-1-yl)-2-methylpropanamide
CID 170421531
1-(3,5-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
CID 54586433
1-(3,5-dibromo-4-hydroxyphenyl)-3-naphthalen-1-ylurea
CID 69011660
1-naphthalen-1-yl-3-[2-(naphthalen-1-ylcarbamoylamino)phenyl]urea
CID 177491059

Frequently Asked Questions

What is the IUPAC name of 1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea?
The IUPAC name of 1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea (CID 91060621) is 1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea.
What is the SMILES notation for 1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea?
The canonical SMILES for 1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea is O=C(Nc1ccc2ccccc2c1)Nc1cccc2cc(O)ccc12.
What is the InChIKey of 1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea?
The InChIKey is MGRBJAWATQWYJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N2O2/c24-18-10-11-19-16(13-18)6-3-7-20(19)23-21(25)22-17-9-8-14-4-1-2-5-15(14)12-17/h1-13,24H,(H2,22,23,25).
What are the key properties of 1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea?
1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea has a molecular weight of 328.37 g/mol, XLogP of 5.34, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-hydroxynaphthalen-1-yl)-3-naphthalen-2-ylurea is sourced from PubChem (CID 91060621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).