1-benzhydrylidene-3-(3-methylphenyl)urea

C21H18N2O — CID 5196240

IUPAC1-benzhydrylidene-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H18N2O/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/h2-15H,1H3,(H,22,24)
InChIKeyQJBHCBGQGUWHOO-UHFFFAOYSA-N
MW314.39 g/mol
LogP5.06
Rot. Bonds3

About 1-benzhydrylidene-3-(3-methylphenyl)urea

1-benzhydrylidene-3-(3-methylphenyl)urea (PubChem CID 5196240) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-benzhydrylidene-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-benzhydrylidene-3-(3-methylphenyl)urea
PubChem CID5196240
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-benzhydrylidene-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C21H18N2O/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/h2-15H,1H3,(H,22,24)
InChIKeyQJBHCBGQGUWHOO-UHFFFAOYSA-N
XLogP5.06
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.39
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(3-methylphenyl)-2-oxo-2-phenylacetamide
CID 82117205
1-benzamido-3-(3-methylphenyl)urea
CID 19798346
N-(3-methylphenyl)acetamide
CID 10843
2-[2-(2-benzhydrylidenehydrazinyl)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 41375162
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 2968363
N-(3-methylphenyl)-3-(phenylcarbamothioylamino)benzamide
CID 26164526
N-(3-methylphenyl)-2-phenylpyrimidine-5-carboxamide
CID 3634035
1-methyl-3-[(3-methylanilino)-phenylmethylidene]thiourea
CID 125466323
1-N-methyl-3-N-(3-methylphenyl)benzene-1,3-dicarboxamide
CID 58018070
4-benzoyl-N-(3-methylphenyl)piperazine-1-carboxamide
CID 18101727
N-methyl-N-[2-(3-methylanilino)-2-oxoethyl]benzamide
CID 35553197

Frequently Asked Questions

What is the IUPAC name of 1-benzhydrylidene-3-(3-methylphenyl)urea?
The IUPAC name of 1-benzhydrylidene-3-(3-methylphenyl)urea (CID 5196240) is 1-benzhydrylidene-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-benzhydrylidene-3-(3-methylphenyl)urea?
The canonical SMILES for 1-benzhydrylidene-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)N=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-benzhydrylidene-3-(3-methylphenyl)urea?
The InChIKey is QJBHCBGQGUWHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/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/h2-15H,1H3,(H,22,24).
What are the key properties of 1-benzhydrylidene-3-(3-methylphenyl)urea?
1-benzhydrylidene-3-(3-methylphenyl)urea has a molecular weight of 314.39 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylidene-3-(3-methylphenyl)urea is sourced from PubChem (CID 5196240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).