1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride

C11H17Cl2N5 — CID 24839273

IUPAC1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(CC)/C(N)=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN5.ClH/c1-2-17(10(13)14)11(15)16-7-8-3-5-9(12)6-4-8;/h3-6H,2,7H2,1H3,(H3,13,14)(H2,15,16);1H
InChIKeyLTJSCNCCDKLKBS-UHFFFAOYSA-N
MW290.20 g/mol
LogP1.79
Rot. Bonds3

About 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride

1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride (PubChem CID 24839273) has the molecular formula C11H17Cl2N5 and a molecular weight of 290.20 g/mol. Its IUPAC name is 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride.

Molecular Properties

Compound Name1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride
PubChem CID24839273
Molecular FormulaC11H17Cl2N5
Molecular Weight290.20 g/mol
Exact Mass289.09
IUPAC Name1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride
SMILESCl.[H]/N=C(\N)N(CC)/C(N)=N/Cc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN5.ClH/c1-2-17(10(13)14)11(15)16-7-8-3-5-9(12)6-4-8;/h3-6H,2,7H2,1H3,(H3,13,14)(H2,15,16);1H
InChIKeyLTJSCNCCDKLKBS-UHFFFAOYSA-N
XLogP1.79
TPSA91.49 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 51.79
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-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride 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-[(4-chlorophenyl)methyl]-1-methylguanidine;hydrochloride
CID 24839279
2-[(4-chlorophenyl)methyl]-1,1-diethylguanidine;hydroiodide
CID 111022759
2-benzyl-1-carbamimidoyl-1-propylguanidine
CID 24839408
1-carbamimidoyl-1-[(4-chlorophenyl)methyl]guanidine
CID 24839284
1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine;hydrochloride
CID 24839303
1-carbamimidoyl-2-[(3,4-dichlorophenyl)methyl]-1-methylguanidine
CID 24839304
1-carbamimidoyl-1-ethyl-2-phenylguanidine
CID 175345301
1-[1-(4-chlorophenyl)propan-2-yl]-1-methylguanidine
CID 139746204
2-[(4-bromophenyl)methyl]-1-carbamimidoyl-1-propan-2-ylguanidine
CID 24839256
1-carbamimidoyl-1-[(4-chlorophenyl)methyl]guanidine;nitric acid
CID 24839283
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
2-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-1-methyl-1-octylguanidine;dihydrochloride
CID 86657128

Frequently Asked Questions

What is the IUPAC name of 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride?
The IUPAC name of 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride (CID 24839273) is 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride.
What is the SMILES notation for 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride?
The canonical SMILES for 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride is Cl.[H]/N=C(\N)N(CC)/C(N)=N/Cc1ccc(Cl)cc1.
What is the InChIKey of 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride?
The InChIKey is LTJSCNCCDKLKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5.ClH/c1-2-17(10(13)14)11(15)16-7-8-3-5-9(12)6-4-8;/h3-6H,2,7H2,1H3,(H3,13,14)(H2,15,16);1H.
What are the key properties of 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride?
1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride has a molecular weight of 290.20 g/mol, XLogP of 1.79, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbamimidoyl-2-[(4-chlorophenyl)methyl]-1-ethylguanidine;hydrochloride is sourced from PubChem (CID 24839273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).