2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine

C24H24N6 — CID 111088495

IUPAC2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine
SMILESCc1ccc(CN/C(=N\Cc2ccnc(-n3ccnc3)c2)Nc2ccccc2)cc1
InChIInChI=1S/C24H24N6/c1-19-7-9-20(10-8-19)16-27-24(29-22-5-3-2-4-6-22)28-17-21-11-12-26-23(15-21)30-14-13-25-18-30/h2-15,18H,16-17H2,1H3,(H2,27,28,29)
InChIKeyUVDXXCHDXBVMBX-UHFFFAOYSA-N
MW396.50 g/mol
LogP4.33
Rot. Bonds6

About 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine

2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine (PubChem CID 111088495) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine.

Molecular Properties

Compound Name2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine
PubChem CID111088495
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine
SMILESCc1ccc(CN/C(=N\Cc2ccnc(-n3ccnc3)c2)Nc2ccccc2)cc1
InChIInChI=1S/C24H24N6/c1-19-7-9-20(10-8-19)16-27-24(29-22-5-3-2-4-6-22)28-17-21-11-12-26-23(15-21)30-14-13-25-18-30/h2-15,18H,16-17H2,1H3,(H2,27,28,29)
InChIKeyUVDXXCHDXBVMBX-UHFFFAOYSA-N
XLogP4.33
TPSA67.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.50
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine 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-benzyl-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-methylguanidine
CID 110952946
2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111088438
1-ethyl-3-[(2-fluorophenyl)methyl]-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111266846
1-ethyl-3-(furan-2-ylmethyl)-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine
CID 110937670
1-ethyl-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-[2-(4-methylphenyl)propyl]guanidine;hydroiodide
CID 111621985
2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine;hydroiodide
CID 111845416
1-ethyl-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111268424
1-ethyl-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-3-(3-methylbutyl)guanidine
CID 110977717
1-(3,3-diphenylpropyl)-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-methylguanidine
CID 111233727
1-ethyl-3-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111939867
1-ethyl-3-[2-(4-fluorophenyl)ethyl]-2-[(2-imidazol-1-yl-4-pyridinyl)methyl]guanidine
CID 111230685
1-[(2-imidazol-1-yl-4-pyridinyl)methyl]-2-methyl-3-(2-phenoxyethyl)guanidine
CID 111005179

Frequently Asked Questions

What is the IUPAC name of 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine?
The IUPAC name of 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine (CID 111088495) is 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine.
What is the SMILES notation for 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine?
The canonical SMILES for 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine is Cc1ccc(CN/C(=N\Cc2ccnc(-n3ccnc3)c2)Nc2ccccc2)cc1.
What is the InChIKey of 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine?
The InChIKey is UVDXXCHDXBVMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-19-7-9-20(10-8-19)16-27-24(29-22-5-3-2-4-6-22)28-17-21-11-12-26-23(15-21)30-14-13-25-18-30/h2-15,18H,16-17H2,1H3,(H2,27,28,29).
What are the key properties of 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine?
2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine has a molecular weight of 396.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-imidazol-1-yl-4-pyridinyl)methyl]-1-[(4-methylphenyl)methyl]-3-phenylguanidine is sourced from PubChem (CID 111088495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).