1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine

C10H13Cl2N5 — CID 24839304

IUPAC1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N5/c1-17(9(13)14)10(15)16-5-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H3,13,14)(H2,15,16)
InChIKeyZZYUGIDIUXTTKN-UHFFFAOYSA-N
MW274.16 g/mol
LogP1.63
Rot. Bonds2

About 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine

1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine (PubChem CID 24839304) has the molecular formula C10H13Cl2N5 and a molecular weight of 274.16 g/mol. Its IUPAC name is 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine.

Molecular Properties

Compound Name1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine
PubChem CID24839304
Molecular FormulaC10H13Cl2N5
Molecular Weight274.16 g/mol
Exact Mass273.05
IUPAC Name1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N5/c1-17(9(13)14)10(15)16-5-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H3,13,14)(H2,15,16)
InChIKeyZZYUGIDIUXTTKN-UHFFFAOYSA-N
XLogP1.63
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.16
LogP ≤ 51.63
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-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine 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-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride
CID 24839303
1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride
CID 24839279
1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride
CID 24839273
1-carbamimidoyl-2-[(2-ethoxyphenyl)methyl]-1-methylguanidine
CID 24839332
2-[(4-bromophenyl)methyl]-1-carbamimidoyl-1-propan-2-ylguanidine
CID 24839256
1-carbamimidoyl-2-[(2-chlorophenyl)methyl]-1-propan-2-ylguanidine
CID 24839276
N'-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]piperidine-1-carboximidamide
CID 142720621
2-benzyl-1-carbamimidoyl-1-propylguanidine
CID 24839408
(1E)-1-[amino-(4-bromoanilino)methylidene]-2-[(3,4-dichlorophenyl)methyl]guanidine
CID 15233170
N'-[(3,4-dichlorophenyl)methyl]-N'-methyloxamide
CID 115192019
1-[[4-(4-chloro-3-methylphenoxy)phenyl]methyl]-1-methylguanidine
CID 67952510
7-[4-(aminomethyl)phenoxy]-N-carbamimidoyl-4-chloro-N-methyl-1H-indole-2-carboxamide;dihydrochloride
CID 70213647

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine?
The IUPAC name of 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine (CID 24839304) is 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine.
What is the SMILES notation for 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine?
The canonical SMILES for 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine is [H]/N=C(\N)N(C)/C(N)=N/Cc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine?
The InChIKey is ZZYUGIDIUXTTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N5/c1-17(9(13)14)10(15)16-5-6-2-3-7(11)8(12)4-6/h2-4H,5H2,1H3,(H3,13,14)(H2,15,16).
What are the key properties of 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine?
1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine has a molecular weight of 274.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine is sourced from PubChem (CID 24839304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).