1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea

C24H20N2S — CID 3783998

IUPAC1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea
SMILESS=C(NCc1cccc2ccccc12)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H20N2S/c27-24(25-17-20-13-8-12-18-11-4-5-14-21(18)20)26-23-16-7-6-15-22(23)19-9-2-1-3-10-19/h1-16H,17H2,(H2,25,26,27)
InChIKeyRUQCPJLJTDBGSL-UHFFFAOYSA-N
MW368.51 g/mol
LogP5.99
Rot. Bonds4

About 1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea

1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea (PubChem CID 3783998) has the molecular formula C24H20N2S and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea.

Molecular Properties

Compound Name1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea
PubChem CID3783998
Molecular FormulaC24H20N2S
Molecular Weight368.51 g/mol
Exact Mass368.13
IUPAC Name1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea
SMILESS=C(NCc1cccc2ccccc12)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C24H20N2S/c27-24(25-17-20-13-8-12-18-11-4-5-14-21(18)20)26-23-16-7-6-15-22(23)19-9-2-1-3-10-19/h1-16H,17H2,(H2,25,26,27)
InChIKeyRUQCPJLJTDBGSL-UHFFFAOYSA-N
XLogP5.99
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.51
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea 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-[(2-chlorophenyl)methyl]-3-naphthalen-1-ylthiourea
CID 19650053
1-(2-methylpropyl)-3-(2-phenylphenyl)thiourea
CID 19711806
1-(naphthalen-1-ylmethyl)-3-propan-2-ylthiourea
CID 115596941
1-(naphthalen-1-ylmethyl)-3-propylthiourea
CID 115596938
1-[(5-methylpyrazin-2-yl)methyl]-3-(2-phenylphenyl)thiourea
CID 3687140
1-naphthalen-1-yl-3-(naphthalen-1-ylmethyl)urea
CID 27185701
1-naphthalen-1-yl-3-(pyridin-4-ylmethyl)thiourea
CID 2807327
1-(naphthalen-1-ylmethyl)-3-(pyridin-3-ylmethyl)thiourea
CID 23822085
N-(benzylcarbamothioyl)-2-naphthalen-1-ylacetamide
CID 920719
1-(3-methoxypropyl)-3-(2-phenylphenyl)thiourea
CID 19711809
1-(naphthalen-1-ylmethyl)-3-(2,4,4-trimethylpentan-2-yl)thiourea
CID 5170710
2-phenyl-N-[(2-phenylphenyl)methyl]aniline
CID 163203960

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea?
The IUPAC name of 1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea (CID 3783998) is 1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea.
What is the SMILES notation for 1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea?
The canonical SMILES for 1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea is S=C(NCc1cccc2ccccc12)Nc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea?
The InChIKey is RUQCPJLJTDBGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2S/c27-24(25-17-20-13-8-12-18-11-4-5-14-21(18)20)26-23-16-7-6-15-22(23)19-9-2-1-3-10-19/h1-16H,17H2,(H2,25,26,27).
What are the key properties of 1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea?
1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea has a molecular weight of 368.51 g/mol, XLogP of 5.99, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalen-1-ylmethyl)-3-(2-phenylphenyl)thiourea is sourced from PubChem (CID 3783998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).