1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine

C16H16Cl3N5 — CID 15598981

IUPAC1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccc(Cl)cc1)N/C(N)=N/Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl3N5/c17-12-4-1-10(2-5-12)8-22-15(20)24-16(21)23-9-11-3-6-13(18)7-14(11)19/h1-7H,8-9H2,(H5,20,21,22,23,24)
InChIKeyGNRHJCJPGSPGHI-UHFFFAOYSA-N
MW384.70 g/mol
LogP3.57
Rot. Bonds4

About 1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine

1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine (PubChem CID 15598981) has the molecular formula C16H16Cl3N5 and a molecular weight of 384.70 g/mol. Its IUPAC name is 1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine.

Molecular Properties

Compound Name1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine
PubChem CID15598981
Molecular FormulaC16H16Cl3N5
Molecular Weight384.70 g/mol
Exact Mass383.05
IUPAC Name1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine
SMILESN/C(=N\Cc1ccc(Cl)cc1)N/C(N)=N/Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C16H16Cl3N5/c17-12-4-1-10(2-5-12)8-22-15(20)24-16(21)23-9-11-3-6-13(18)7-14(11)19/h1-7H,8-9H2,(H5,20,21,22,23,24)
InChIKeyGNRHJCJPGSPGHI-UHFFFAOYSA-N
XLogP3.57
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.70
LogP ≤ 53.57
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-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine 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

2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine
CID 111024875
1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine
CID 54323044
2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111024839
2-[(2,4-dichlorophenyl)methyl]-1-(3-methylbutyl)guanidine
CID 111024821
2-[(2,4-dichlorophenyl)methyl]-1-(2-methoxyphenyl)guanidine
CID 111024815
N'-[(4-chlorophenyl)methyl]-2-methylpropanimidamide
CID 63174015
2-[(2,4-dichlorophenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine;hydroiodide
CID 111024864
2-[(4-chlorophenyl)methyl]-1-(3-methylbutyl)guanidine
CID 111022749
(2S)-2-amino-3-[4-[[N'-[(4-chloro-2-methylphenyl)methyl]carbamimidoyl]carbamoyl]phenyl]propanoic acid
CID 118138801
N-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-(4,5-dimethoxy-2-nitrophenyl)acetamide
CID 118709823
2-amino-2-[(4-chlorophenyl)methylimino]acetic acid
CID 89286361
1-tert-butyl-2-[(3-chlorophenyl)methyl]guanidine
CID 62531902

Frequently Asked Questions

What is the IUPAC name of 1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine?
The IUPAC name of 1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine (CID 15598981) is 1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine.
What is the SMILES notation for 1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine?
The canonical SMILES for 1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine is N/C(=N\Cc1ccc(Cl)cc1)N/C(N)=N/Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine?
The InChIKey is GNRHJCJPGSPGHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl3N5/c17-12-4-1-10(2-5-12)8-22-15(20)24-16(21)23-9-11-3-6-13(18)7-14(11)19/h1-7H,8-9H2,(H5,20,21,22,23,24).
What are the key properties of 1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine?
1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine has a molecular weight of 384.70 g/mol, XLogP of 3.57, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine is sourced from PubChem (CID 15598981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).