1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea

C25H22N2O2 — CID 10452485

IUPAC1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2ccc(O)cc12)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H22N2O2/c28-22-15-14-21-12-7-13-24(23(21)16-22)26-25(29)27(17-19-8-3-1-4-9-19)18-20-10-5-2-6-11-20/h1-16,28H,17-18H2,(H,26,29)
InChIKeySRFWKKYRWZKFDE-UHFFFAOYSA-N
MW382.46 g/mol
LogP5.78
Rot. Bonds5

About 1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea

1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea (PubChem CID 10452485) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea.

Molecular Properties

Compound Name1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea
PubChem CID10452485
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea
SMILESO=C(Nc1cccc2ccc(O)cc12)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H22N2O2/c28-22-15-14-21-12-7-13-24(23(21)16-22)26-25(29)27(17-19-8-3-1-4-9-19)18-20-10-5-2-6-11-20/h1-16,28H,17-18H2,(H,26,29)
InChIKeySRFWKKYRWZKFDE-UHFFFAOYSA-N
XLogP5.78
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 55.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea?
The IUPAC name of 1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea (CID 10452485) is 1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea.
What is the SMILES notation for 1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea?
The canonical SMILES for 1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea is O=C(Nc1cccc2ccc(O)cc12)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea?
The InChIKey is SRFWKKYRWZKFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O2/c28-22-15-14-21-12-7-13-24(23(21)16-22)26-25(29)27(17-19-8-3-1-4-9-19)18-20-10-5-2-6-11-20/h1-16,28H,17-18H2,(H,26,29).
What are the key properties of 1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea?
1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea has a molecular weight of 382.46 g/mol, XLogP of 5.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibenzyl-3-(7-hydroxynaphthalen-1-yl)urea is sourced from PubChem (CID 10452485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).