1-benzhydryl-3-(2-methylphenyl)thiourea

C21H20N2S — CID 8615084

IUPAC1-benzhydryl-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2S/c1-16-10-8-9-15-19(16)22-21(24)23-20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15,20H,1H3,(H2,22,23,24)
InChIKeyPZBRRCZEENZBNY-UHFFFAOYSA-N
MW332.47 g/mol
LogP5.07
Rot. Bonds4

About 1-benzhydryl-3-(2-methylphenyl)thiourea

1-benzhydryl-3-(2-methylphenyl)thiourea (PubChem CID 8615084) has the molecular formula C21H20N2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 1-benzhydryl-3-(2-methylphenyl)thiourea.

Molecular Properties

Compound Name1-benzhydryl-3-(2-methylphenyl)thiourea
PubChem CID8615084
Molecular FormulaC21H20N2S
Molecular Weight332.47 g/mol
Exact Mass332.13
IUPAC Name1-benzhydryl-3-(2-methylphenyl)thiourea
SMILESCc1ccccc1NC(=S)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H20N2S/c1-16-10-8-9-15-19(16)22-21(24)23-20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15,20H,1H3,(H2,22,23,24)
InChIKeyPZBRRCZEENZBNY-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'}

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Related Compounds

1-(2-chlorophenyl)-3-[(S)-(2-methylphenyl)-phenylmethyl]thiourea
CID 100657906
1-(2-methylphenyl)-3-[2-[(2-methylphenyl)carbamothioylamino]phenyl]thiourea
CID 71419304
1-[(R)-(2-methylphenyl)-phenylmethyl]-3-phenylthiourea
CID 92646547
1-benzhydryl-3-[2-(trifluoromethyl)phenyl]thiourea
CID 19651956
1-(2-methylphenyl)-3-[1-(4-propan-2-ylphenyl)ethyl]thiourea
CID 19675461
1-(2,5-dimethylphenyl)-3-[(R)-(4-methoxyphenyl)-phenylmethyl]thiourea
CID 9216135
1-(2-fluorophenyl)-3-[(S)-(3-methylphenyl)-phenylmethyl]thiourea
CID 100726835
1-[(1R)-1-(2-chlorophenyl)ethyl]-3-(2-methylphenyl)thiourea
CID 8629060
1-(3-chloro-2-methylphenyl)-3-[(S)-phenyl(pyridin-4-yl)methyl]thiourea
CID 9232692
1-(2-chlorophenyl)-3-[(S)-(2,4-dimethylphenyl)-phenylmethyl]thiourea
CID 100747275
1-benzhydryl-3-(3-methylphenyl)thiourea
CID 19651934
1-(2-methylphenyl)-3-[1-(4-methylphenyl)propyl]thiourea
CID 19675375

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-3-(2-methylphenyl)thiourea?
The IUPAC name of 1-benzhydryl-3-(2-methylphenyl)thiourea (CID 8615084) is 1-benzhydryl-3-(2-methylphenyl)thiourea.
What is the SMILES notation for 1-benzhydryl-3-(2-methylphenyl)thiourea?
The canonical SMILES for 1-benzhydryl-3-(2-methylphenyl)thiourea is Cc1ccccc1NC(=S)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-3-(2-methylphenyl)thiourea?
The InChIKey is PZBRRCZEENZBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2S/c1-16-10-8-9-15-19(16)22-21(24)23-20(17-11-4-2-5-12-17)18-13-6-3-7-14-18/h2-15,20H,1H3,(H2,22,23,24).
What are the key properties of 1-benzhydryl-3-(2-methylphenyl)thiourea?
1-benzhydryl-3-(2-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-(2-methylphenyl)thiourea is sourced from PubChem (CID 8615084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).