1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine

C19H23Cl2N5 — CID 21492941

IUPAC1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine
SMILESCC(C)(/N=C(\N)N/C(N)=N/CCc1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H23Cl2N5/c1-19(2,16-14(20)9-6-10-15(16)21)26-18(23)25-17(22)24-12-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H5,22,23,24,25,26)
InChIKeyDKCVRQCYAODRPN-UHFFFAOYSA-N
MW392.33 g/mol
LogP3.69
Rot. Bonds5

About 1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine

1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine (PubChem CID 21492941) has the molecular formula C19H23Cl2N5 and a molecular weight of 392.33 g/mol. Its IUPAC name is 1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine.

Molecular Properties

Compound Name1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine
PubChem CID21492941
Molecular FormulaC19H23Cl2N5
Molecular Weight392.33 g/mol
Exact Mass391.13
IUPAC Name1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine
SMILESCC(C)(/N=C(\N)N/C(N)=N/CCc1ccccc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H23Cl2N5/c1-19(2,16-14(20)9-6-10-15(16)21)26-18(23)25-17(22)24-12-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H5,22,23,24,25,26)
InChIKeyDKCVRQCYAODRPN-UHFFFAOYSA-N
XLogP3.69
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.33
LogP ≤ 53.69
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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Frequently Asked Questions

What is the IUPAC name of 1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine?
The IUPAC name of 1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine (CID 21492941) is 1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine.
What is the SMILES notation for 1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine?
The canonical SMILES for 1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine is CC(C)(/N=C(\N)N/C(N)=N/CCc1ccccc1)c1c(Cl)cccc1Cl.
What is the InChIKey of 1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine?
The InChIKey is DKCVRQCYAODRPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl2N5/c1-19(2,16-14(20)9-6-10-15(16)21)26-18(23)25-17(22)24-12-11-13-7-4-3-5-8-13/h3-10H,11-12H2,1-2H3,(H5,22,23,24,25,26).
What are the key properties of 1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine?
1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine has a molecular weight of 392.33 g/mol, XLogP of 3.69, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[N'-[2-(2,6-dichlorophenyl)propan-2-yl]carbamimidoyl]-2-(2-phenylethyl)guanidine is sourced from PubChem (CID 21492941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).