1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine

C11H16ClN5 — CID 161322573

IUPAC1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine
SMILESCC/N=C(\N/C(N)=N/C)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN5/c1-3-15-11(17-10(13)14-2)16-9-6-4-8(12)5-7-9/h4-7H,3H2,1-2H3,(H4,13,14,15,16,17)
InChIKeySNHNFDYEYORRPM-UHFFFAOYSA-N
MW253.74 g/mol
LogP1.66
Rot. Bonds2

About 1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine

1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine (PubChem CID 161322573) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine
PubChem CID161322573
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine
SMILESCC/N=C(\N/C(N)=N/C)Nc1ccc(Cl)cc1
InChIInChI=1S/C11H16ClN5/c1-3-15-11(17-10(13)14-2)16-9-6-4-8(12)5-7-9/h4-7H,3H2,1-2H3,(H4,13,14,15,16,17)
InChIKeySNHNFDYEYORRPM-UHFFFAOYSA-N
XLogP1.66
TPSA74.80 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 51.66
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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Related Compounds

1-(4-chlorophenyl)-2-methylguanidine
CID 20543496
1-(N'-butylcarbamimidoyl)-3-(4-chlorophenyl)thiourea
CID 10826971
2-[2-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]ethyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
CID 70500438
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine dichloride
CID 85066607
1-amino-2-ethyl-3-(4-propylphenyl)guanidine
CID 116513167
(3Z)-3-amino-N-(4-chlorophenyl)-3-hydroxyiminopropanamide
CID 5371621
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-hexylguanidine;hydrochloride
CID 45260161
1-amino-3-(4-ethoxyphenyl)-2-ethylguanidine
CID 116511523
2-N-(4-chlorophenyl)-3-methylbut-1-ene-1,1,2-triamine
CID 144642215
1-[4-(dimethylamino)phenyl]-2-methylguanidine
CID 62381292
4-[(N'-ethylcarbamimidoyl)amino]benzamide
CID 62380720
2-[N'-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]carbamimidoyl]-1,3-bis(4-chlorophenyl)guanidine;dihydrochloride
CID 20843964

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine?
The IUPAC name of 1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine (CID 161322573) is 1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine?
The canonical SMILES for 1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine is CC/N=C(\N/C(N)=N/C)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine?
The InChIKey is SNHNFDYEYORRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-3-15-11(17-10(13)14-2)16-9-6-4-8(12)5-7-9/h4-7H,3H2,1-2H3,(H4,13,14,15,16,17).
What are the key properties of 1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine?
1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine has a molecular weight of 253.74 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-ethyl-3-(N'-methylcarbamimidoyl)guanidine is sourced from PubChem (CID 161322573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).