1-benzhydryl-3-(3-methylphenyl)thiourea

C21H20N2S — CID 19651934

IUPAC1-benzhydryl-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H20N2S/c1-16-9-8-14-19(15-16)22-21(24)23-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20H,1H3,(H2,22,23,24)
InChIKeyLGNHGUTZTFUZLL-UHFFFAOYSA-N
MW332.47 g/mol
LogP5.07
Rot. Bonds4

About 1-benzhydryl-3-(3-methylphenyl)thiourea

1-benzhydryl-3-(3-methylphenyl)thiourea (PubChem CID 19651934) has the molecular formula C21H20N2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-benzhydryl-3-(3-methylphenyl)thiourea.

Molecular Properties

Compound Name1-benzhydryl-3-(3-methylphenyl)thiourea
PubChem CID19651934
Molecular FormulaC21H20N2S
Molecular Weight332.47 g/mol
Exact Mass332.13
IUPAC Name1-benzhydryl-3-(3-methylphenyl)thiourea
SMILESCc1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H20N2S/c1-16-9-8-14-19(15-16)22-21(24)23-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20H,1H3,(H2,22,23,24)
InChIKeyLGNHGUTZTFUZLL-UHFFFAOYSA-N
XLogP5.07
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-benzhydryl-3-(3-methylphenyl)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-(3-methylphenyl)-3-[(3-methylphenyl)-phenylmethyl]thiourea
CID 133216260
1-[(S)-(3-methylphenyl)-phenylmethyl]-3-phenylthiourea
CID 100726368
1-(3-bromophenyl)-3-[(S)-(3-methylphenyl)-phenylmethyl]thiourea
CID 100726609
1-[(R)-(4-methoxyphenyl)-phenylmethyl]-3-(3-methylphenyl)thiourea
CID 9216074
1-(3-chloro-4-methylphenyl)-3-[(3-methylphenyl)-phenylmethyl]thiourea
CID 133216282
1-(3-chloro-4-fluorophenyl)-3-[(3-methylphenyl)-phenylmethyl]thiourea
CID 133216290
1-(3-bromophenyl)-3-[(S)-(2,4-dimethylphenyl)-phenylmethyl]thiourea
CID 100747302
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(S)-(3-methylphenyl)-phenylmethyl]thiourea
CID 100727132
ethyl 3-[[(R)-(3-methylphenyl)-phenylmethyl]carbamothioylamino]benzoate
CID 100727409
1-(3-bromophenyl)-3-[(2-methylphenyl)-phenylmethyl]thiourea
CID 133215701
1-[(S)-(4-methylphenyl)-phenylmethyl]-3-(3-propan-2-yloxyphenyl)thiourea
CID 100661240
1-(3-chlorophenyl)-3-[(2,4-dimethylphenyl)-phenylmethyl]thiourea
CID 133218243

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(3-methylphenyl)thiourea?
The IUPAC name of 1-benzhydryl-3-(3-methylphenyl)thiourea (CID 19651934) is 1-benzhydryl-3-(3-methylphenyl)thiourea.
What is the SMILES notation for 1-benzhydryl-3-(3-methylphenyl)thiourea?
The canonical SMILES for 1-benzhydryl-3-(3-methylphenyl)thiourea is Cc1cccc(NC(=S)NC(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-benzhydryl-3-(3-methylphenyl)thiourea?
The InChIKey is LGNHGUTZTFUZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2S/c1-16-9-8-14-19(15-16)22-21(24)23-20(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,20H,1H3,(H2,22,23,24).
What are the key properties of 1-benzhydryl-3-(3-methylphenyl)thiourea?
1-benzhydryl-3-(3-methylphenyl)thiourea has a molecular weight of 332.47 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-3-(3-methylphenyl)thiourea is sourced from PubChem (CID 19651934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).