[N'-(4-methylphenyl)carbamimidoyl]urea

C9H12N4O — CID 135406039

IUPAC[N'-(4-methylphenyl)carbamimidoyl]urea
SMILESCc1ccc(/N=C(\N)NC(N)=O)cc1
InChIInChI=1S/C9H12N4O/c1-6-2-4-7(5-3-6)12-8(10)13-9(11)14/h2-5H,1H3,(H5,10,11,12,13,14)
InChIKeyFODKHECPYAUJID-UHFFFAOYSA-N
MW192.22 g/mol
LogP0.61
Rot. Bonds1

About [N'-(4-methylphenyl)carbamimidoyl]urea

[N'-(4-methylphenyl)carbamimidoyl]urea (PubChem CID 135406039) has the molecular formula C9H12N4O and a molecular weight of 192.22 g/mol. Its IUPAC name is [N'-(4-methylphenyl)carbamimidoyl]urea.

Molecular Properties

Compound Name[N'-(4-methylphenyl)carbamimidoyl]urea
PubChem CID135406039
Molecular FormulaC9H12N4O
Molecular Weight192.22 g/mol
Exact Mass192.10
IUPAC Name[N'-(4-methylphenyl)carbamimidoyl]urea
SMILESCc1ccc(/N=C(\N)NC(N)=O)cc1
InChIInChI=1S/C9H12N4O/c1-6-2-4-7(5-3-6)12-8(10)13-9(11)14/h2-5H,1H3,(H5,10,11,12,13,14)
InChIKeyFODKHECPYAUJID-UHFFFAOYSA-N
XLogP0.61
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [N'-(4-methylphenyl)carbamimidoyl]urea?
The IUPAC name of [N'-(4-methylphenyl)carbamimidoyl]urea (CID 135406039) is [N'-(4-methylphenyl)carbamimidoyl]urea.
What is the SMILES notation for [N'-(4-methylphenyl)carbamimidoyl]urea?
The canonical SMILES for [N'-(4-methylphenyl)carbamimidoyl]urea is Cc1ccc(/N=C(\N)NC(N)=O)cc1.
What is the InChIKey of [N'-(4-methylphenyl)carbamimidoyl]urea?
The InChIKey is FODKHECPYAUJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O/c1-6-2-4-7(5-3-6)12-8(10)13-9(11)14/h2-5H,1H3,(H5,10,11,12,13,14).
What are the key properties of [N'-(4-methylphenyl)carbamimidoyl]urea?
[N'-(4-methylphenyl)carbamimidoyl]urea has a molecular weight of 192.22 g/mol, XLogP of 0.61, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [N'-(4-methylphenyl)carbamimidoyl]urea is sourced from PubChem (CID 135406039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).