1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride

C11H16ClN4O- — CID 53351559

IUPAC1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride
SMILESC/N=C(\N)NC(=O)Nc1c(C)cccc1C.[Cl-]
InChIInChI=1S/C11H16N4O.ClH/c1-7-5-4-6-8(2)9(7)14-11(16)15-10(12)13-3;/h4-6H,1-3H3,(H4,12,13,14,15,16);1H/p-1
InChIKeyINMBONSHXVMDSX-UHFFFAOYSA-M
MW255.73 g/mol
LogP-1.63
Rot. Bonds1

About 1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride

1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride (PubChem CID 53351559) has the molecular formula C11H16ClN4O- and a molecular weight of 255.73 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride
PubChem CID53351559
Molecular FormulaC11H16ClN4O-
Molecular Weight255.73 g/mol
Exact Mass255.10
IUPAC Name1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride
SMILESC/N=C(\N)NC(=O)Nc1c(C)cccc1C.[Cl-]
InChIInChI=1S/C11H16N4O.ClH/c1-7-5-4-6-8(2)9(7)14-11(16)15-10(12)13-3;/h4-6H,1-3H3,(H4,12,13,14,15,16);1H/p-1
InChIKeyINMBONSHXVMDSX-UHFFFAOYSA-M
XLogP-1.63
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.73
LogP ≤ 5-1.63
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'}

Analyze 1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride 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-ethyl-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea
CID 3049597
1-(2-methoxy-6-methylphenyl)-3-(N'-methylcarbamimidoyl)urea;hydrochloride
CID 3049570
1-(N'-butylcarbamimidoyl)-3-(2,6-dimethylphenyl)urea
CID 13023382
1-[N'-(2,6-diethylphenyl)carbamimidoyl]-3-(2,6-dimethylphenyl)urea
CID 135823938
1-(2,6-dimethylphenyl)-3-(N'-pentan-2-ylcarbamimidoyl)urea;hydrochloride
CID 70615053
1-(2-ethyl-6-methylphenyl)-2-methylguanidine
CID 62378878
1-(2-chloro-6-methylphenyl)-3-(N'-ethylcarbamimidoyl)urea
CID 13023376
1-(2-chloro-6-methylphenyl)-3-(N'-methoxycarbamimidoyl)urea;hydrochloride
CID 158055964
2-chloro-N-[(2,6-dimethylphenyl)carbamoyl]propanamide
CID 43146320
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
1-(diaminomethylidene)-3-(2,6-dimethylphenyl)urea;hydrochloride
CID 3052078
3-[amino-(2,6-dimethylanilino)methylidene]-1,1,2-trimethylguanidine
CID 54466798

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride (CID 53351559) is 1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride is C/N=C(\N)NC(=O)Nc1c(C)cccc1C.[Cl-].
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride?
The InChIKey is INMBONSHXVMDSX-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H16N4O.ClH/c1-7-5-4-6-8(2)9(7)14-11(16)15-10(12)13-3;/h4-6H,1-3H3,(H4,12,13,14,15,16);1H/p-1.
What are the key properties of 1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride?
1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride has a molecular weight of 255.73 g/mol, XLogP of -1.63, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(N'-methylcarbamimidoyl)urea chloride is sourced from PubChem (CID 53351559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).