1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine

C20H19ClN4 — CID 54314128

IUPAC1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine
SMILESCc1ccccc1Cc1cccc(N=C(N)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19ClN4/c1-14-5-2-3-6-15(14)13-18-7-4-8-19(23-18)25-20(22)24-17-11-9-16(21)10-12-17/h2-12H,13H2,1H3,(H3,22,23,24,25)
InChIKeySMYNUCWKSFUZNT-UHFFFAOYSA-N
MW350.85 g/mol
LogP4.69
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine

1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine (PubChem CID 54314128) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine
PubChem CID54314128
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC Name1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine
SMILESCc1ccccc1Cc1cccc(N=C(N)Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C20H19ClN4/c1-14-5-2-3-6-15(14)13-18-7-4-8-19(23-18)25-20(22)24-17-11-9-16(21)10-12-17/h2-12H,13H2,1H3,(H3,22,23,24,25)
InChIKeySMYNUCWKSFUZNT-UHFFFAOYSA-N
XLogP4.69
TPSA63.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.69
H-Bond Donors ≤ 52
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-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine?
The IUPAC name of 1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine (CID 54314128) is 1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine?
The canonical SMILES for 1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine is Cc1ccccc1Cc1cccc(N=C(N)Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine?
The InChIKey is SMYNUCWKSFUZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4/c1-14-5-2-3-6-15(14)13-18-7-4-8-19(23-18)25-20(22)24-17-11-9-16(21)10-12-17/h2-12H,13H2,1H3,(H3,22,23,24,25).
What are the key properties of 1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine?
1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine has a molecular weight of 350.85 g/mol, XLogP of 4.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[6-[(2-methylphenyl)methyl]-2-pyridinyl]guanidine is sourced from PubChem (CID 54314128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).